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

C17H22N2O2 — CID 12556919

IUPACN-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C17H22N2O2/c1-4-5-11-19(16(20)13(2)3)17-18-15(12-21-17)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyWCUNEYPKZSPHCF-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.13
Rot. Bonds6

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

N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 12556919) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID12556919
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCCCCN(C(=O)C(C)C)c1nc(-c2ccccc2)co1
InChIInChI=1S/C17H22N2O2/c1-4-5-11-19(16(20)13(2)3)17-18-15(12-21-17)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3
InChIKeyWCUNEYPKZSPHCF-UHFFFAOYSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide (CID 12556919) is N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide is CCCCN(C(=O)C(C)C)c1nc(-c2ccccc2)co1.
What is the InChIKey of N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is WCUNEYPKZSPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-5-11-19(16(20)13(2)3)17-18-15(12-21-17)14-9-7-6-8-10-14/h6-10,12-13H,4-5,11H2,1-3H3.
What are the key properties of N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide?
N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(4-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 12556919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).