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

C16H18N2O3 — CID 5309834

IUPACN-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
InChIInChI=1S/C16H18N2O3/c1-10(2)8-14-9-15(18-21-14)16(20)17-13-6-4-12(5-7-13)11(3)19/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyPKWVXVLUJVOJQK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.33
Rot. Bonds5

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

N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5309834) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5309834
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
InChIInChI=1S/C16H18N2O3/c1-10(2)8-14-9-15(18-21-14)16(20)17-13-6-4-12(5-7-13)11(3)19/h4-7,9-10H,8H2,1-3H3,(H,17,20)
InChIKeyPKWVXVLUJVOJQK-UHFFFAOYSA-N
XLogP3.33
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.33
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-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5309834) is N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is PKWVXVLUJVOJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)8-14-9-15(18-21-14)16(20)17-13-6-4-12(5-7-13)11(3)19/h4-7,9-10H,8H2,1-3H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(4-acetylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.33, 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-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5309834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).