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

C18H16N2O2 — CID 110649624

IUPACN-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-8-10-14(11-9-13)17-16(12-19-22-17)18(21)20(2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyQRTQGOHLXRSRKV-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.93
Rot. Bonds3

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

N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110649624) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110649624
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(-c2oncc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C18H16N2O2/c1-13-8-10-14(11-9-13)17-16(12-19-22-17)18(21)20(2)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyQRTQGOHLXRSRKV-UHFFFAOYSA-N
XLogP3.93
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide (CID 110649624) is N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide is Cc1ccc(-c2oncc2C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is QRTQGOHLXRSRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-8-10-14(11-9-13)17-16(12-19-22-17)18(21)20(2)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide?
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110649624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).