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

C15H18N2O3 — CID 110681149

IUPAC2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C15H18N2O3/c1-10(2)9-16-14(18)12-13(17(3)20-15(12)19)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyDVMPAHXHNKOMSZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds4

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

2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110681149) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110681149
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCC(C)CNC(=O)c1c(-c2ccccc2)n(C)oc1=O
InChIInChI=1S/C15H18N2O3/c1-10(2)9-16-14(18)12-13(17(3)20-15(12)19)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyDVMPAHXHNKOMSZ-UHFFFAOYSA-N
XLogP2.03
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide (CID 110681149) is 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is CC(C)CNC(=O)c1c(-c2ccccc2)n(C)oc1=O.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is DVMPAHXHNKOMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)9-16-14(18)12-13(17(3)20-15(12)19)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide?
2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-5-oxo-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110681149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).