1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

C19H24N4O4 — CID 122000522

IUPAC1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2ccc(CCNC(=O)N3CCC(C)(C(=O)O)C3)cc2)n1
InChIInChI=1S/C19H24N4O4/c1-3-15-21-16(27-22-15)14-6-4-13(5-7-14)8-10-20-18(26)23-11-9-19(2,12-23)17(24)25/h4-7H,3,8-12H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyNUQVFXCUVNIDJY-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid

1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122000522) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122000522
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCCc1noc(-c2ccc(CCNC(=O)N3CCC(C)(C(=O)O)C3)cc2)n1
InChIInChI=1S/C19H24N4O4/c1-3-15-21-16(27-22-15)14-6-4-13(5-7-14)8-10-20-18(26)23-11-9-19(2,12-23)17(24)25/h4-7H,3,8-12H2,1-2H3,(H,20,26)(H,24,25)
InChIKeyNUQVFXCUVNIDJY-UHFFFAOYSA-N
XLogP2.35
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 122000522) is 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CCc1noc(-c2ccc(CCNC(=O)N3CCC(C)(C(=O)O)C3)cc2)n1.
What is the InChIKey of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NUQVFXCUVNIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-15-21-16(27-22-15)14-6-4-13(5-7-14)8-10-20-18(26)23-11-9-19(2,12-23)17(24)25/h4-7H,3,8-12H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 372.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122000522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).