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Summary Geometry Related PDB entries

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Summary

Name:	N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
Formula:	C18 H14 N6 O2
Formal charge:	0
Formula weight:	346.343 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(3P)-3-[(5P)-5-(2H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
OpenEye OEToolkits	2.0.7	~{N}-[3-[5-(2~{H}-1,2,3,4-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl]cyclopropanecarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1
InChI	InChI	1.06	InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)
InChIKey	InChI	1.06	ZDYGRDMSDBGSHI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CC5
SMILES	CACTVS	3.385	O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CC5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NC(=O)C2CC2)c3c4cc(ccc4no3)c5n[nH]nn5
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NC(=O)C2CC2)c3c4cc(ccc4no3)c5n[nH]nn5

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