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

C18H22N2O2 — CID 59170050

IUPACN-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-7-9-15(10-8-13)17-16(12-20-22-17)18(21)19-11-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21)
InChIKeyYDWLGBMXBYPKBI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.96
Rot. Bonds4

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

N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 59170050) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID59170050
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-7-9-15(10-8-13)17-16(12-20-22-17)18(21)19-11-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21)
InChIKeyYDWLGBMXBYPKBI-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
CID 59170259
5-(4-methylphenyl)-N-(2-phenylpropyl)-1,2-oxazole-4-carboxamide
CID 59170277
N-[2-(4-chlorophenyl)ethyl]-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170194
N-cyclopentyl-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110647434
2-chloro-N-(cyclobutylmethyl)furan-3-carboxamide
CID 106685401
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647993
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide (CID 59170050) is N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide is Cc1ccc(-c2oncc2C(=O)NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is YDWLGBMXBYPKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-7-9-15(10-8-13)17-16(12-20-22-17)18(21)19-11-14-5-3-2-4-6-14/h7-10,12,14H,2-6,11H2,1H3,(H,19,21).
What are the key properties of N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide?
N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59170050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).