3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid

C13H15NO3 — CID 14616477

IUPAC3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-13(16)7-6-11-9-12(17-14-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16)
InChIKeyLGHUGEQXYFDSNN-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.24
Rot. Bonds5

About 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid

3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid (PubChem CID 14616477) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
PubChem CID14616477
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
SMILESO=C(O)CCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C13H15NO3/c15-13(16)7-6-11-9-12(17-14-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16)
InChIKeyLGHUGEQXYFDSNN-UHFFFAOYSA-N
XLogP2.24
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid 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

4-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol;hydrochloride
CID 44585587
4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
CID 42613647
3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 155819586
5-(fluoromethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 154714385
5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
CID 15445648
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 175777932
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 175777888
[5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
CID 57429670
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 175777882
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-5-methyl-2-phenylpyrazole-3-carboxamide
CID 175777978
lanthanum;3-phenylpropanoic acid
CID 174887955
3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 71561964

Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid (CID 14616477) is 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid is O=C(O)CCC1=NOC(Cc2ccccc2)C1.
What is the InChIKey of 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is LGHUGEQXYFDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13(16)7-6-11-9-12(17-14-11)8-10-4-2-1-3-5-10/h1-5,12H,6-9H2,(H,15,16).
What are the key properties of 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid?
3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 14616477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).