3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid

C15H18N4O4 — CID 122006749

IUPAC3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O4/c1-10(16-15(22)19(2)9-8-12(20)21)13-17-14(23-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyBHSQWNKFSQQWHE-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.91
Rot. Bonds6

About 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid

3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid (PubChem CID 122006749) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
PubChem CID122006749
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)c1noc(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O4/c1-10(16-15(22)19(2)9-8-12(20)21)13-17-14(23-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,20,21)
InChIKeyBHSQWNKFSQQWHE-UHFFFAOYSA-N
XLogP1.91
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]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

3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 119340919
2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
3-[methyl-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]propanoic acid
CID 122001267
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
CID 167970004
3-[methyl-[[(1S)-1-(2-methylsulfanylphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122013272
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
3-[methyl-[1-(4-pyridin-4-ylphenyl)ethylcarbamoyl]amino]propanoic acid
CID 122004708
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120637740
2-ethyl-6-oxo-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 139000135

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid (CID 122006749) is 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid is CC(NC(=O)N(C)CCC(=O)O)c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
The InChIKey is BHSQWNKFSQQWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-10(16-15(22)19(2)9-8-12(20)21)13-17-14(23-18-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,22)(H,20,21).
What are the key properties of 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid?
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122006749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).