N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C18H22N2O2 — CID 1093791

IUPACN-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)no2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-8-10-14(11-9-13)17-12-16(19-22-17)18(21)20(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyHFUHHXLCJAJWFV-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.05
Rot. Bonds3

About N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1093791) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1093791
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)no2)cc1
InChIInChI=1S/C18H22N2O2/c1-13-8-10-14(11-9-13)17-12-16(19-22-17)18(21)20(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyHFUHHXLCJAJWFV-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 1093791) is N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)C3CCCCC3)no2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HFUHHXLCJAJWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-10-14(11-9-13)17-12-16(19-22-17)18(21)20(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1093791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).