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Summary Geometry Related PDB entries

LTF

Summary

Name:	(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
Formula:	C15 H20 N2 O5
Formal charge:	0
Formula weight:	308.33 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
OpenEye OEToolkits	1.7.6	(4R)-2-(3,4-dimethoxy-5-propyl-phenyl)-N-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC
InChI	InChI	1.03	InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKey	InChI	1.03	DGGKRIGJIQRXQD-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.370	CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO
SMILES	CACTVS	3.370	CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO
SMILES	OpenEye OEToolkits	1.7.6	CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO

223532

PDB entries from 2024-08-07

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