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Summary Geometry Related PDB entries

DWA

Summary

Name:	(4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Formula:	C21 H18 F N3 O2
Formal charge:	0
Formula weight:	363.385 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine
OpenEye OEToolkits	1.7.6	(4R)-4-[3-(2-fluoranylpyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-5H-1,3-oxazol-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc4ncccc4c1cccc(c1)C2(N=C(OC2)N)c3ccc(OC)cc3
InChI	InChI	1.03	InChI=1S/C21H18FN3O2/c1-26-17-9-7-15(8-10-17)21(13-27-20(23)25-21)16-5-2-4-14(12-16)18-6-3-11-24-19(18)22/h2-12H,13H2,1H3,(H2,23,25)/t21-/m1/s1
InChIKey	InChI	1.03	WCJQDRXUNINKDD-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.370	COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F
SMILES	CACTVS	3.370	COc1ccc(cc1)[C]2(COC(=N2)N)c3cccc(c3)c4cccnc4F
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)[C@]2(COC(=N2)N)c3cccc(c3)c4cccnc4F
SMILES	OpenEye OEToolkits	1.7.6	COc1ccc(cc1)C2(COC(=N2)N)c3cccc(c3)c4cccnc4F

223532

건을2024-08-07부터공개중

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