2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole

C20H21N3O — CID 51137222

IUPAC2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C20H21N3O/c1-15-7-9-16(10-8-15)13-23-12-11-18(14-23)20-22-21-19(24-20)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyCKDGOWUAGAVDGI-SFHVURJKSA-N
MW319.41 g/mol
LogP4.03
Rot. Bonds4

About 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole

2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 51137222) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID51137222
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C20H21N3O/c1-15-7-9-16(10-8-15)13-23-12-11-18(14-23)20-22-21-19(24-20)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyCKDGOWUAGAVDGI-SFHVURJKSA-N
XLogP4.03
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-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 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 51137222) is 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(CN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is CKDGOWUAGAVDGI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-7-9-16(10-8-15)13-23-12-11-18(14-23)20-22-21-19(24-20)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 51137222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).