4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid

C12H15N3O4 — CID 79210213

IUPAC4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1noc(CCC(=O)NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-7-13-11(19-15-7)5-4-10(16)14-9-3-2-8(6-9)12(17)18/h2-3,8-9H,4-6H2,1H3,(H,14,16)(H,17,18)
InChIKeySEBCZJFTUNJKFP-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.46
Rot. Bonds5

About 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid

4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79210213) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79210213
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCc1noc(CCC(=O)NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C12H15N3O4/c1-7-13-11(19-15-7)5-4-10(16)14-9-3-2-8(6-9)12(17)18/h2-3,8-9H,4-6H2,1H3,(H,14,16)(H,17,18)
InChIKeySEBCZJFTUNJKFP-UHFFFAOYSA-N
XLogP0.46
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(3-thiophen-2-ylpropanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209434
6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pyridine-3-carboxylic acid
CID 61319613
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 114751674
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
N-(3,5-dimethylphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 86917576
3,3,3-trifluoro-2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 79795813
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]propanamide
CID 111661548
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 86931751
3-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 64672859

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79210213) is 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid is Cc1noc(CCC(=O)NC2C=CC(C(=O)O)C2)n1.
What is the InChIKey of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is SEBCZJFTUNJKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-7-13-11(19-15-7)5-4-10(16)14-9-3-2-8(6-9)12(17)18/h2-3,8-9H,4-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79210213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).