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

C14H16N2O3 — CID 162649896

IUPACN-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)8-15-13(17)16-9-12(19-14(16)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyBCKQQJUKMQTPTO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds3

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

N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide (PubChem CID 162649896) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide
PubChem CID162649896
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C14H16N2O3/c1-10(2)8-15-13(17)16-9-12(19-14(16)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyBCKQQJUKMQTPTO-UHFFFAOYSA-N
XLogP2.32
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide (CID 162649896) is N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide is CC(C)CNC(=O)n1cc(-c2ccccc2)oc1=O.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide?
The InChIKey is BCKQQJUKMQTPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(2)8-15-13(17)16-9-12(19-14(16)18)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide?
N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-5-phenyl-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162649896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).