3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

C20H22N4O2 — CID 97006132

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)o2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)20-23-22-18(26-20)10-11-19(25)24-13-3-5-17(24)16-4-2-12-21-16/h2,4,6-9,12,17,21H,3,5,10-11,13H2,1H3/t17-/m1/s1
InChIKeyIGKATODSUNXTLE-QGZVFWFLSA-N
MW350.42 g/mol
LogP3.67
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 97006132) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID97006132
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)o2)cc1
InChIInChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)20-23-22-18(26-20)10-11-19(25)24-13-3-5-17(24)16-4-2-12-21-16/h2,4,6-9,12,17,21H,3,5,10-11,13H2,1H3/t17-/m1/s1
InChIKeyIGKATODSUNXTLE-QGZVFWFLSA-N
XLogP3.67
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one 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-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 97006132) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1ccc(-c2nnc(CCC(=O)N3CCC[C@@H]3c3ccc[nH]3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is IGKATODSUNXTLE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-6-8-15(9-7-14)20-23-22-18(26-20)10-11-19(25)24-13-3-5-17(24)16-4-2-12-21-16/h2,4,6-9,12,17,21H,3,5,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 350.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 97006132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).