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

C25H28N4O2 — CID 11582434

IUPAC[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nnc(-c2ccc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2)o1
InChIInChI=1S/C25H28N4O2/c1-18-26-27-24(31-18)21-10-6-19(7-11-21)20-8-12-22(13-9-20)25(30)29-16-4-5-23(29)17-28-14-2-3-15-28/h6-13,23H,2-5,14-17H2,1H3
InChIKeyPZAWVULYSVCWTR-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.41
Rot. Bonds5

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

[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 11582434) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID11582434
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1nnc(-c2ccc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2)o1
InChIInChI=1S/C25H28N4O2/c1-18-26-27-24(31-18)21-10-6-19(7-11-21)20-8-12-22(13-9-20)25(30)29-16-4-5-23(29)17-28-14-2-3-15-28/h6-13,23H,2-5,14-17H2,1H3
InChIKeyPZAWVULYSVCWTR-UHFFFAOYSA-N
XLogP4.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)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

Related Compounds

[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
(4-ethylpiperazin-1-yl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 110693173
[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 75398360
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
2-(hydroxymethyl)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111618266
N-methyl-6-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 11603549
N-[5-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-2-pyridinyl]methanesulfonamide;dihydrochloride
CID 67373908
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878
(4-butylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965048

Frequently Asked Questions

What is the IUPAC name of [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 11582434) is [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1nnc(-c2ccc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2)o1.
What is the InChIKey of [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PZAWVULYSVCWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18-26-27-24(31-18)21-10-6-19(7-11-21)20-8-12-22(13-9-20)25(30)29-16-4-5-23(29)17-28-14-2-3-15-28/h6-13,23H,2-5,14-17H2,1H3.
What are the key properties of [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 11582434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).