5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide

C17H19ClN2O2 — CID 59170259

IUPAC5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnoc1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c18-15-9-5-4-8-13(15)16-14(11-20-22-16)17(21)19-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,21)
InChIKeySNHKSCWJMBWHGF-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.31
Rot. Bonds4

About 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide

5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 59170259) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID59170259
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnoc1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN2O2/c18-15-9-5-4-8-13(15)16-14(11-20-22-16)17(21)19-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,21)
InChIKeySNHKSCWJMBWHGF-UHFFFAOYSA-N
XLogP4.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170050
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 59170186
2-amino-3-chloro-N-(cyclopentylmethyl)benzamide
CID 115540050
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
N-(cyclohexylmethyl)-2-iodobenzamide
CID 2677280
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364
2-chloro-N-(cyclooctylmethyl)-5-iodobenzamide
CID 173122018

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide (CID 59170259) is 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide is O=C(NCC1CCCCC1)c1cnoc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is SNHKSCWJMBWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-15-9-5-4-8-13(15)16-14(11-20-22-16)17(21)19-10-12-6-2-1-3-7-12/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,19,21).
What are the key properties of 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide?
5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59170259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).