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

C17H22N2O2 — CID 21323644

IUPACN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide
SMILESCCCCN(C(=O)CCc1ccccc1)c1nc(C)co1
InChIInChI=1S/C17H22N2O2/c1-3-4-12-19(17-18-14(2)13-21-17)16(20)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyBSMLJQAAMZFOMA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.75
Rot. Bonds7

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

N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide (PubChem CID 21323644) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide
PubChem CID21323644
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide
SMILESCCCCN(C(=O)CCc1ccccc1)c1nc(C)co1
InChIInChI=1S/C17H22N2O2/c1-3-4-12-19(17-18-14(2)13-21-17)16(20)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3
InChIKeyBSMLJQAAMZFOMA-UHFFFAOYSA-N
XLogP3.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.75
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)-3-phenylpropanamide?
The IUPAC name of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide (CID 21323644) is N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide is CCCCN(C(=O)CCc1ccccc1)c1nc(C)co1.
What is the InChIKey of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide?
The InChIKey is BSMLJQAAMZFOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-4-12-19(17-18-14(2)13-21-17)16(20)11-10-15-8-6-5-7-9-15/h5-9,13H,3-4,10-12H2,1-2H3.
What are the key properties of N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide?
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 3.75, 7 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)-3-phenylpropanamide is sourced from PubChem (CID 21323644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).