(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone

C18H25N5O3 — CID 91905857

IUPAC(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C18H25N5O3/c1-2-23-15(3-7-19-23)18(24)22-8-4-13(12-22)11-16-20-17(26-21-16)14-5-9-25-10-6-14/h3,7,13-14H,2,4-6,8-12H2,1H3
InChIKeyZRIXOBMXVYSWBQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.88
Rot. Bonds5

About (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone

(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 91905857) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID91905857
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1
InChIInChI=1S/C18H25N5O3/c1-2-23-15(3-7-19-23)18(24)22-8-4-13(12-22)11-16-20-17(26-21-16)14-5-9-25-10-6-14/h3,7,13-14H,2,4-6,8-12H2,1H3
InChIKeyZRIXOBMXVYSWBQ-UHFFFAOYSA-N
XLogP1.88
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-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 (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone (CID 91905857) is (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(Cc2noc(C3CCOCC3)n2)C1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is ZRIXOBMXVYSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-2-23-15(3-7-19-23)18(24)22-8-4-13(12-22)11-16-20-17(26-21-16)14-5-9-25-10-6-14/h3,7,13-14H,2,4-6,8-12H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-[3-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91905857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).