3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide

C17H21N3O3 — CID 75462228

IUPAC3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-11-15(12(2)23-20-11)10-18-17(22)9-16(19-13(3)21)14-7-5-4-6-8-14/h4-8,16H,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVKZYIJWIIGTXLO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.18
Rot. Bonds6

About 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide

3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide (PubChem CID 75462228) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
PubChem CID75462228
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)NCc1c(C)noc1C)c1ccccc1
InChIInChI=1S/C17H21N3O3/c1-11-15(12(2)23-20-11)10-18-17(22)9-16(19-13(3)21)14-7-5-4-6-8-14/h4-8,16H,9-10H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyVKZYIJWIIGTXLO-UHFFFAOYSA-N
XLogP2.18
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methylbutanamide
CID 47861597
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-phenylbutyl)acetamide
CID 43027703
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
CID 119951357
(3S)-3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 9303942
3-acetamido-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-chlorophenyl)propanamide
CID 55428569
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
(3R)-3-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]-3-phenylpropanamide
CID 9073272
(3S)-3-acetamido-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 95155438

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide (CID 75462228) is 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide is CC(=O)NC(CC(=O)NCc1c(C)noc1C)c1ccccc1.
What is the InChIKey of 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide?
The InChIKey is VKZYIJWIIGTXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-15(12(2)23-20-11)10-18-17(22)9-16(19-13(3)21)14-7-5-4-6-8-14/h4-8,16H,9-10H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide?
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide has a molecular weight of 315.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 75462228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).