[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone

C15H16N6O3 — CID 91892219

IUPAC[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C15H16N6O3/c1-2-13-16-14(24-18-13)12-8-21(19-17-12)11-3-5-20(7-11)15(22)10-4-6-23-9-10/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyIBFUEKSCDMMJRZ-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.57
Rot. Bonds4

About [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone

[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 91892219) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID91892219
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESCCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1
InChIInChI=1S/C15H16N6O3/c1-2-13-16-14(24-18-13)12-8-21(19-17-12)11-3-5-20(7-11)15(22)10-4-6-23-9-10/h4,6,8-9,11H,2-3,5,7H2,1H3
InChIKeyIBFUEKSCDMMJRZ-UHFFFAOYSA-N
XLogP1.57
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone 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 [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 91892219) is [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone is CCc1noc(-c2cn(C3CCN(C(=O)c4ccoc4)C3)nn2)n1.
What is the InChIKey of [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is IBFUEKSCDMMJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c1-2-13-16-14(24-18-13)12-8-21(19-17-12)11-3-5-20(7-11)15(22)10-4-6-23-9-10/h4,6,8-9,11H,2-3,5,7H2,1H3.
What are the key properties of [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone?
[3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 328.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 91892219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).