English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

YHS

Summary

Name:	(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
Formula:	C16 H13 N5 O
Formal charge:	0
Formula weight:	291.307 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5P)-3-(3,5-dimethylphenyl)-5-(1H-tetrazol-5-yl)-2,1-benzoxazole
OpenEye OEToolkits	2.0.7	3-(3,5-dimethylphenyl)-5-(1~{H}-1,2,3,4-tetrazol-5-yl)-2,1-benzoxazole

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(cc(C)c1)c1onc2ccc(cc12)c1nnn[NH]1
InChI	InChI	1.06	InChI=1S/C16H13N5O/c1-9-5-10(2)7-12(6-9)15-13-8-11(16-17-20-21-18-16)3-4-14(13)19-22-15/h3-8H,1-2H3,(H,17,18,20,21)
InChIKey	InChI	1.06	PYDRHRMQZGFNTG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(C)cc(c1)c2onc3ccc(cc23)c4[nH]nnn4
SMILES	CACTVS	3.385	Cc1cc(C)cc(c1)c2onc3ccc(cc23)c4[nH]nnn4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)c2c3cc(ccc3no2)c4[nH]nnn4)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)c2c3cc(ccc3no2)c4[nH]nnn4)C

248335

PDB entries from 2026-01-28

PDB statistics

PDBj update info

Contact PDBj

numon