[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone

C20H19N3O3 — CID 4293558

IUPAC[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-15-10-8-14(9-11-15)18-21-19(26-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyRWDBGVBGQRRIFU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.65
Rot. Bonds4

About [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone

[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 4293558) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID4293558
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1
InChIInChI=1S/C20H19N3O3/c1-25-15-10-8-14(9-11-15)18-21-19(26-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3
InChIKeyRWDBGVBGQRRIFU-UHFFFAOYSA-N
XLogP3.65
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 1249644
pyrrolidin-1-yl-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 5133126
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 50764359
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-piperidin-1-ylmethanone
CID 3445328
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
ethyl (3R)-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl]piperidine-3-carboxylate
CID 92887818
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 46288581
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226059
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43514779
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 52815756

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone (CID 4293558) is [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2noc(-c3ccccc3C(=O)N3CCCC3)n2)cc1.
What is the InChIKey of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is RWDBGVBGQRRIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-15-10-8-14(9-11-15)18-21-19(26-22-18)16-6-2-3-7-17(16)20(24)23-12-4-5-13-23/h2-3,6-11H,4-5,12-13H2,1H3.
What are the key properties of [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone?
[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 349.39 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 4293558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).