2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid

C20H26N2O5 — CID 119232145

IUPAC2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)CCc2c(C)noc2C)C(=O)O)cc1
InChIInChI=1S/C20H26N2O5/c1-4-26-17-7-5-15(6-8-17)11-16(20(24)25)12-21-19(23)10-9-18-13(2)22-27-14(18)3/h5-8,16H,4,9-12H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyULDTWQGSSYVQPS-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.68
Rot. Bonds10

About 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid

2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid (PubChem CID 119232145) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid
PubChem CID119232145
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid
SMILESCCOc1ccc(CC(CNC(=O)CCc2c(C)noc2C)C(=O)O)cc1
InChIInChI=1S/C20H26N2O5/c1-4-26-17-7-5-15(6-8-17)11-16(20(24)25)12-21-19(23)10-9-18-13(2)22-27-14(18)3/h5-8,16H,4,9-12H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyULDTWQGSSYVQPS-UHFFFAOYSA-N
XLogP2.68
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)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

2-[[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232019
2-[(4-ethoxyphenyl)methyl]-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 119232130
2-[(4-ethoxyphenyl)methyl]-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 119232217
2-benzyl-3-[[2-(4-ethoxyphenoxy)acetyl]amino]propanoic acid
CID 119233936
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]propanamide
CID 111110980
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
2-[[[2-(2,6-difluorophenyl)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 120524919
2-[[(3,5-dimethylfuran-2-carbonyl)amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119232112
2-[(4-ethoxyphenyl)methyl]-3-(2-methylbutanoylamino)propanoic acid
CID 119231907
2-[(4-ethoxyphenyl)methyl]-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 119231937
2-(benzamidomethyl)-3-(4-ethoxyphenyl)propanoic acid
CID 119231910
2-[[[2-(2-chlorophenoxy)acetyl]amino]methyl]-3-(4-ethoxyphenyl)propanoic acid
CID 119231915

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid (CID 119232145) is 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid is CCOc1ccc(CC(CNC(=O)CCc2c(C)noc2C)C(=O)O)cc1.
What is the InChIKey of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid?
The InChIKey is ULDTWQGSSYVQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-4-26-17-7-5-15(6-8-17)11-16(20(24)25)12-21-19(23)10-9-18-13(2)22-27-14(18)3/h5-8,16H,4,9-12H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid?
2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.68, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]-3-(4-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 119232145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).