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

C16H21N3O2 — CID 119951357

IUPAC3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1noc(C)c1CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-11-14(12(2)21-19-11)8-9-18-16(20)10-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyTVJKHMWZXCISOB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.04
Rot. Bonds6

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

3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide (PubChem CID 119951357) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
PubChem CID119951357
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide
SMILESCc1noc(C)c1CCNC(=O)CC(N)c1ccccc1
InChIInChI=1S/C16H21N3O2/c1-11-14(12(2)21-19-11)8-9-18-16(20)10-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyTVJKHMWZXCISOB-UHFFFAOYSA-N
XLogP2.04
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
2-(4-aminophenyl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 119778984
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111471637
(2S)-2-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylbutanamide
CID 119320910
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110646267
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228
3-amino-N-[2-(ethylsulfonylamino)ethyl]-3-phenylpropanamide
CID 119949886
3-amino-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119948729
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 111108502
N-[2-[(3-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119950377
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide (CID 119951357) is 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide is Cc1noc(C)c1CCNC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide?
The InChIKey is TVJKHMWZXCISOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-14(12(2)21-19-11)8-9-18-16(20)10-15(17)13-6-4-3-5-7-13/h3-7,15H,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide?
3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119951357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).