N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide

C16H20N2O2 — CID 12556859

IUPACN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccccc1)c1nc(C)co1
InChIInChI=1S/C16H20N2O2/c1-3-4-10-18(16-17-13(2)12-20-16)15(19)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyZKJUDCCGMBKPJV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.36
Rot. Bonds6

About N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide (PubChem CID 12556859) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide
PubChem CID12556859
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide
SMILESCCCCN(C(=O)Cc1ccccc1)c1nc(C)co1
InChIInChI=1S/C16H20N2O2/c1-3-4-10-18(16-17-13(2)12-20-16)15(19)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3
InChIKeyZKJUDCCGMBKPJV-UHFFFAOYSA-N
XLogP3.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide (CID 12556859) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide is CCCCN(C(=O)Cc1ccccc1)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide?
The InChIKey is ZKJUDCCGMBKPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-4-10-18(16-17-13(2)12-20-16)15(19)11-14-8-6-5-7-9-14/h5-9,12H,3-4,10-11H2,1-2H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide has a molecular weight of 272.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 12556859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).