3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

C15H23N5O2 — CID 56802687

IUPAC3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC2Cn2cc(C)cn2)n1
InChIInChI=1S/C15H23N5O2/c1-12-8-16-20(9-12)10-13-4-3-6-19(13)11-15-17-14(18-22-15)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyLRMOZOZRRFWVHH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.43
Rot. Bonds7

About 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56802687) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56802687
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCOCCc1noc(CN2CCCC2Cn2cc(C)cn2)n1
InChIInChI=1S/C15H23N5O2/c1-12-8-16-20(9-12)10-13-4-3-6-19(13)11-15-17-14(18-22-15)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3
InChIKeyLRMOZOZRRFWVHH-UHFFFAOYSA-N
XLogP1.43
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole 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-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56802687) is 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is COCCc1noc(CN2CCCC2Cn2cc(C)cn2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is LRMOZOZRRFWVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-8-16-20(9-12)10-13-4-3-6-19(13)11-15-17-14(18-22-15)5-7-21-2/h8-9,13H,3-7,10-11H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56802687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).