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Summary Geometry Related PDB entries

GFI

Summary

Name:	N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
Formula:	C19 H19 F3 N4 O4
Formal charge:	0
Formula weight:	424.374 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
OpenEye OEToolkits	2.0.7	~{N},~{N}-dimethyl-5-[3-[2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-1,2-oxazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(on1)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C19H19F3N4O4/c1-11-9-12(16-23-18(30-25-16)19(20,21)22)6-7-15(11)28-8-4-5-13-10-14(24-29-13)17(27)26(2)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey	InChI	1.03	ZDMWUMVBMYLHFC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C(=O)c1cc(CCCOc2ccc(cc2C)c3noc(n3)C(F)(F)F)on1
SMILES	CACTVS	3.385	CN(C)C(=O)c1cc(CCCOc2ccc(cc2C)c3noc(n3)C(F)(F)F)on1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1OCCCc2cc(no2)C(=O)N(C)C)c3nc(on3)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1OCCCc2cc(no2)C(=O)N(C)C)c3nc(on3)C(F)(F)F

222415

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