N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C15H16N2O3 — CID 5308171

IUPACN-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1
InChIInChI=1S/C15H16N2O3/c1-3-4-13-9-14(17-20-13)15(19)16-12-7-5-11(6-8-12)10(2)18/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyQGWOODBUMLLVCG-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.08
Rot. Bonds5

About N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5308171) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5308171
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1
InChIInChI=1S/C15H16N2O3/c1-3-4-13-9-14(17-20-13)15(19)16-12-7-5-11(6-8-12)10(2)18/h5-9H,3-4H2,1-2H3,(H,16,19)
InChIKeyQGWOODBUMLLVCG-UHFFFAOYSA-N
XLogP3.08
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5308171) is N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1.
What is the InChIKey of N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is QGWOODBUMLLVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-4-13-9-14(17-20-13)15(19)16-12-7-5-11(6-8-12)10(2)18/h5-9H,3-4H2,1-2H3,(H,16,19).
What are the key properties of N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).