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Summary Geometry Related PDB entries

0YD

Summary

Name:	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
Formula:	C18 H14 Cl N O3
Formal charge:	0
Formula weight:	327.762 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]propanoic acid
OpenEye OEToolkits	1.7.6	3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3cccc(c2ccc(c1noc(c1)CCC(=O)O)cc2)c3
InChI	InChI	1.03	InChI=1S/C18H14ClNO3/c19-15-3-1-2-14(10-15)12-4-6-13(7-5-12)17-11-16(23-20-17)8-9-18(21)22/h1-7,10-11H,8-9H2,(H,21,22)
InChIKey	InChI	1.03	URCXEYDVUSIQLH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3
SMILES	CACTVS	3.370	OC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)O

220113

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