N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide

C14H14N2O3 — CID 71919937

IUPACN-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccon1
InChIInChI=1S/C14H14N2O3/c1-10(15-14(18)12-7-8-19-16-12)9-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyZCNNRTQPHPOHET-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.07
Rot. Bonds5

About N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide

N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 71919937) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID71919937
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccon1
InChIInChI=1S/C14H14N2O3/c1-10(15-14(18)12-7-8-19-16-12)9-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyZCNNRTQPHPOHET-UHFFFAOYSA-N
XLogP2.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 71919937) is N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide is CC(CC(=O)c1ccccc1)NC(=O)c1ccon1.
What is the InChIKey of N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZCNNRTQPHPOHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-10(15-14(18)12-7-8-19-16-12)9-13(17)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,18).
What are the key properties of N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide?
N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-phenylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71919937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).