5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide

C12H15N3O4 — CID 166309149

IUPAC5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
SMILESCc1noc(C2(NC(=O)C3CC(C)OC3=O)CC2)n1
InChIInChI=1S/C12H15N3O4/c1-6-5-8(10(17)18-6)9(16)14-12(3-4-12)11-13-7(2)15-19-11/h6,8H,3-5H2,1-2H3,(H,14,16)
InChIKeyLAOPSLDHFBRPCN-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.43
Rot. Bonds3

About 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide

5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide (PubChem CID 166309149) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
PubChem CID166309149
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide
SMILESCc1noc(C2(NC(=O)C3CC(C)OC3=O)CC2)n1
InChIInChI=1S/C12H15N3O4/c1-6-5-8(10(17)18-6)9(16)14-12(3-4-12)11-13-7(2)15-19-11/h6,8H,3-5H2,1-2H3,(H,14,16)
InChIKeyLAOPSLDHFBRPCN-UHFFFAOYSA-N
XLogP0.43
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide 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 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide (CID 166309149) is 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide is Cc1noc(C2(NC(=O)C3CC(C)OC3=O)CC2)n1.
What is the InChIKey of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide?
The InChIKey is LAOPSLDHFBRPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-6-5-8(10(17)18-6)9(16)14-12(3-4-12)11-13-7(2)15-19-11/h6,8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide?
5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]-2-oxooxolane-3-carboxamide is sourced from PubChem (CID 166309149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).