5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide

C18H22N2O2 — CID 4799748

IUPAC5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H22N2O2/c1-12-8-10-15(11-9-12)19-18(21)16-13(2)22-20-17(16)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,21)
InChIKeyGNIDOVYZRAJMHI-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.96
Rot. Bonds3

About 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 4799748) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID4799748
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H22N2O2/c1-12-8-10-15(11-9-12)19-18(21)16-13(2)22-20-17(16)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,21)
InChIKeyGNIDOVYZRAJMHI-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-(4-fluorophenyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-4-carboxamide
CID 39128435
3-(3-bromophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 50805790
5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
N-(3,4-dihydro-2H-chromen-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 119041092
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
N-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 167771669
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 45190473
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
5-methyl-3-phenyl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 18532251
5-methyl-3-phenyl-N-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-carboxamide
CID 26918414
5-methyl-3-phenyl-N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 45236703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide (CID 4799748) is 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is GNIDOVYZRAJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-8-10-15(11-9-12)19-18(21)16-13(2)22-20-17(16)14-6-4-3-5-7-14/h3-7,12,15H,8-11H2,1-2H3,(H,19,21).
What are the key properties of 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4799748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).