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

C16H17FN2O2 — CID 118010900

IUPAC2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cnco2)CCCCC1c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)12-6-3-4-8-16(12,15(18)20)14-9-19-10-21-14/h1-2,5,7,9-10,12H,3-4,6,8H2,(H2,18,20)
InChIKeyAQGWGLQUMKFTPY-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.89
Rot. Bonds3

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

2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 118010900) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
PubChem CID118010900
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(c2cnco2)CCCCC1c1ccccc1F
InChIInChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)12-6-3-4-8-16(12,15(18)20)14-9-19-10-21-14/h1-2,5,7,9-10,12H,3-4,6,8H2,(H2,18,20)
InChIKeyAQGWGLQUMKFTPY-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide (CID 118010900) is 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide is NC(=O)C1(c2cnco2)CCCCC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is AQGWGLQUMKFTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-7-2-1-5-11(13)12-6-3-4-8-16(12,15(18)20)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 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide?
2-(2-fluorophenyl)-1-(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 2-(2-fluorophenyl)-1-(1,3-oxazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 118010900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).