1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol

C14H17N3O2 — CID 131896488

IUPAC1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCc1nonc1CN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C14H17N3O2/c1-11-13(16-19-15-11)9-17-8-7-14(18,10-17)12-5-3-2-4-6-12/h2-6,18H,7-10H2,1H3
InChIKeyMLUSTPPEFHRHQU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.47
Rot. Bonds3

About 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol

1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 131896488) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID131896488
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCc1nonc1CN1CCC(O)(c2ccccc2)C1
InChIInChI=1S/C14H17N3O2/c1-11-13(16-19-15-11)9-17-8-7-14(18,10-17)12-5-3-2-4-6-12/h2-6,18H,7-10H2,1H3
InChIKeyMLUSTPPEFHRHQU-UHFFFAOYSA-N
XLogP1.47
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol 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 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol (CID 131896488) is 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol is Cc1nonc1CN1CCC(O)(c2ccccc2)C1.
What is the InChIKey of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is MLUSTPPEFHRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-13(16-19-15-11)9-17-8-7-14(18,10-17)12-5-3-2-4-6-12/h2-6,18H,7-10H2,1H3.
What are the key properties of 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol?
1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 259.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 131896488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).