1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide

C16H17FN2O2 — CID 118010894

IUPAC1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2F)CCCCC1c1cnco1
InChIInChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)16(15(18)20)8-4-3-6-12(16)14-9-19-10-21-14/h1-2,5,7,9-10,12H,3-4,6,8H2,(H2,18,20)
InChIKeyVAKGWWCJSAOTND-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide

1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 118010894) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID118010894
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2ccccc2F)CCCCC1c1cnco1
InChIInChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)16(15(18)20)8-4-3-6-12(16)14-9-19-10-21-14/h1-2,5,7,9-10,12H,3-4,6,8H2,(H2,18,20)
InChIKeyVAKGWWCJSAOTND-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
CID 118010900
2-Fluoro-1-(1,3-oxazol-5-yl)-2-phenylcyclohexane-1-carboxamide
CID 118010901
5-[4-[(3-Fluoro-4-methylphenyl)methyl]-2-methoxycyclohex-2-en-1-yl]-1,3-oxazole
CID 176079173
4-Bromo-2-[(3-fluoro-4-methylphenyl)methyl]-5-(1,3-oxazol-5-yl)cyclohex-3-en-1-one
CID 176079233
2-(Dimethylamino)-1-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]ethanone
CID 110099354
[4-[5-[(2-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 110099355
1-[4-[5-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 110110029
1-[4-[5-[(2-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 110110032
Cyclobutyl-[4-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone
CID 110110462
Cyclobutyl-[4-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]methanone
CID 110110466
1-[4-[4-[5-[(4-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110110613
[4-[5-[(3-Fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110110892

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide (CID 118010894) is 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide is NC(=O)C1(c2ccccc2F)CCCCC1c1cnco1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is VAKGWWCJSAOTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)16(15(18)20)8-4-3-6-12(16)14-9-19-10-21-14/h1-2,5,7,9-10,12H,3-4,6,8H2,(H2,18,20).
What are the key properties of 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118010894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).