5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole

C20H21N3O — CID 11681282

IUPAC5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)no1
InChIInChI=1S/C20H21N3O/c1-15-21-20(22-24-15)19-10-8-18(9-11-19)17-6-4-16(5-7-17)14-23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3
InChIKeyPSJKKTYFVKXVFT-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.31
Rot. Bonds4

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

5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole (PubChem CID 11681282) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
PubChem CID11681282
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)no1
InChIInChI=1S/C20H21N3O/c1-15-21-20(22-24-15)19-10-8-18(9-11-19)17-6-4-16(5-7-17)14-23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3
InChIKeyPSJKKTYFVKXVFT-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-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

Related Compounds

[(2S)-1-[[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]piperidin-2-yl]methanol
CID 11523409
5-methyl-3-[4-[4-[(3-propoxypyrrolidin-1-yl)methyl]phenyl]phenyl]-1,2,4-oxadiazole
CID 69359265
5-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 51131875
3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 18382106
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazolin-4-one
CID 163974931
3-(4-chlorophenyl)-5-methyl-1,2,4-oxadiazole
CID 684002
1-[(4-methylphenyl)methyl]azepane
CID 3951815
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2R)-1-piperidin-1-ylpropan-2-yl]benzamide
CID 90164454
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38143303

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole (CID 11681282) is 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)no1.
What is the InChIKey of 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is PSJKKTYFVKXVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-21-20(22-24-15)19-10-8-18(9-11-19)17-6-4-16(5-7-17)14-23-12-2-3-13-23/h4-11H,2-3,12-14H2,1H3.
What are the key properties of 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole?
5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 11681282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).