2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole

C21H21F2NO — CID 11638697

IUPAC2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
SMILESFc1ccc(F)c(C2=CC(c3ccccc3)N(C3CCCCC3)O2)c1
InChIInChI=1S/C21H21F2NO/c22-16-11-12-19(23)18(13-16)21-14-20(15-7-3-1-4-8-15)24(25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10H2
InChIKeyOFUULGIQLSQFHH-UHFFFAOYSA-N
MW341.40 g/mol
LogP5.63
Rot. Bonds3

About 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole

2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole (PubChem CID 11638697) has the molecular formula C21H21F2NO and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
PubChem CID11638697
Molecular FormulaC21H21F2NO
Molecular Weight341.40 g/mol
Exact Mass341.16
IUPAC Name2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole
SMILESFc1ccc(F)c(C2=CC(c3ccccc3)N(C3CCCCC3)O2)c1
InChIInChI=1S/C21H21F2NO/c22-16-11-12-19(23)18(13-16)21-14-20(15-7-3-1-4-8-15)24(25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10H2
InChIKeyOFUULGIQLSQFHH-UHFFFAOYSA-N
XLogP5.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6712809
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CID 10901219
4-(4-Fluoro-phenyl)-2-methyl-5-phenyl-2,3-dihydro-isoxazole
CID 11097158
4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
CID 10912676
3,3-Diphenyl-2-(1-phenylethyl)-1,2-oxaziridine
CID 336231
(3R)-N-benzyl-3-(2,3,4,5,6-pentafluorophenyl)-N-[(1S)-1-phenylethyl]oxaziridine-2-sulfonamide
CID 13682904
(3S)-N-benzyl-3-(2,3,4,5,6-pentafluorophenyl)-N-[(1S)-1-phenylethyl]oxaziridine-2-sulfonamide
CID 13682905
N-[(4-fluorophenyl)methyl]-2-phenyl-N-phenylmethoxyethanamine
CID 15880805
(1S)-2-[benzyl(hydroxy)amino]-2-cyclohexyl-1-(4-fluorophenyl)ethanol
CID 164683958
2-benzyl-5-phenyl-3-propan-2-yl-3H-1,2-oxazole
CID 11514657
(3aS)-2,3-diphenylspiro[5,6,7,8-tetrahydro-3aH-[1,2]oxazolo[2,3-a]azepine-4,1'-cyclohexane]
CID 102392591
2,2-Dimethyl-3-(1-phenylethoxy)-4-phenyl-3-azapentane
CID 11403756

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole (CID 11638697) is 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole is Fc1ccc(F)c(C2=CC(c3ccccc3)N(C3CCCCC3)O2)c1.
What is the InChIKey of 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
The InChIKey is OFUULGIQLSQFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2NO/c22-16-11-12-19(23)18(13-16)21-14-20(15-7-3-1-4-8-15)24(25-21)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10H2.
What are the key properties of 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole?
2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole has a molecular weight of 341.40 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(2,5-difluorophenyl)-3-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 11638697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).