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Summary Geometry Related PDB entries

5QI

Summary

Name:	N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
Formula:	C16 H19 F2 N3 O3
Formal charge:	0
Formula weight:	339.337 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[3-(difluoromethoxy)-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-azanyl-~{N}-[3-[bis(fluoranyl)methoxy]-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-pentanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)CC(N)C(=O)Nc1cc(OC(F)F)c(cc1)c1cnco1
InChI	InChI	1.03	InChI=1S/C16H19F2N3O3/c1-9(2)5-12(19)15(22)21-10-3-4-11(14-7-20-8-23-14)13(6-10)24-16(17)18/h3-4,6-9,12,16H,5,19H2,1-2H3,(H,21,22)/t12-/m1/s1
InChIKey	InChI	1.03	GCTFTMWXZFLTRR-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)C[C@@H](N)C(=O)Nc1ccc(c2ocnc2)c(OC(F)F)c1
SMILES	CACTVS	3.385	CC(C)C[CH](N)C(=O)Nc1ccc(c2ocnc2)c(OC(F)F)c1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(C(=O)Nc1ccc(c(c1)OC(F)F)c2cnco2)N

250359

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