5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide

C16H17ClN2O2 — CID 1093865

IUPAC5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H17ClN2O2/c17-13-9-5-4-8-12(13)15-10-14(19-21-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20)
InChIKeyAOAGZYYIPLHAQV-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.06
Rot. Bonds3

About 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide

5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide (PubChem CID 1093865) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
PubChem CID1093865
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)on1
InChIInChI=1S/C16H17ClN2O2/c17-13-9-5-4-8-12(13)15-10-14(19-21-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20)
InChIKeyAOAGZYYIPLHAQV-UHFFFAOYSA-N
XLogP4.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide (CID 1093865) is 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide is O=C(NC1CCCCC1)c1cc(-c2ccccc2Cl)on1.
What is the InChIKey of 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide?
The InChIKey is AOAGZYYIPLHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-9-5-4-8-12(13)15-10-14(19-21-15)16(20)18-11-6-2-1-3-7-11/h4-5,8-11H,1-3,6-7H2,(H,18,20).
What are the key properties of 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide?
5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-cyclohexyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).