2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide

C16H17FN2O2 — CID 118010901

IUPAC2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cnco2)CCCCC1(F)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-16(12-6-2-1-3-7-12)9-5-4-8-15(16,14(18)20)13-10-19-11-21-13/h1-3,6-7,10-11H,4-5,8-9H2,(H2,18,20)
InChIKeyIDNSADXINLUFQW-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.84
Rot. Bonds3

About 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide

2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide (PubChem CID 118010901) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide
PubChem CID118010901
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cnco2)CCCCC1(F)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c17-16(12-6-2-1-3-7-12)9-5-4-8-15(16,14(18)20)13-10-19-11-21-13/h1-3,6-7,10-11H,4-5,8-9H2,(H2,18,20)
InChIKeyIDNSADXINLUFQW-UHFFFAOYSA-N
XLogP2.84
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
CID 118010894
2-(2-Fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
CID 118010900
1-(5-Cyclopropyl-1,3-oxazol-2-yl)-4-(4-fluorophenyl)butan-2-one
CID 178980387
2-[2-[(3-Fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086679
2-[2-[[2-(Trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086799
1-[2-[[2-(Trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115086800
2-[2-[(2-Fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086803
2-[2-[(4-Fluorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086917
2-(1,1-Diphenylethyl)-5-methyl-1,3-oxazole
CID 59317081
5-(1-Methyl-1-phenylethyl)oxazole
CID 59788788
5-[(3-Tert-butylphenyl)methyl]-1,3-oxazole
CID 130387990
5-(3-Tert-butyl-2-bicyclo[2.2.2]octa-1(6),4,7-trienyl)-1,3-oxazole
CID 134342654

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide?
The IUPAC name of 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide (CID 118010901) is 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide is NC(=O)C1(c2cnco2)CCCCC1(F)c1ccccc1.
What is the InChIKey of 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide?
The InChIKey is IDNSADXINLUFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-16(12-6-2-1-3-7-12)9-5-4-8-15(16,14(18)20)13-10-19-11-21-13/h1-3,6-7,10-11H,4-5,8-9H2,(H2,18,20).
What are the key properties of 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide?
2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 118010901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).