[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C24H22FN5O3 — CID 71009964

IUPAC[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCN(Cc4coc(-c5ccc(F)cc5)n4)CC3)c2)no1
InChIInChI=1S/C24H22FN5O3/c1-16-26-22(28-33-16)18-3-2-4-19(13-18)24(31)30-11-9-29(10-12-30)14-21-15-32-23(27-21)17-5-7-20(25)8-6-17/h2-8,13,15H,9-12,14H2,1H3
InChIKeyGBQVFUZRZOINGP-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.80
Rot. Bonds5

About [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 71009964) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID71009964
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESCc1nc(-c2cccc(C(=O)N3CCN(Cc4coc(-c5ccc(F)cc5)n4)CC3)c2)no1
InChIInChI=1S/C24H22FN5O3/c1-16-26-22(28-33-16)18-3-2-4-19(13-18)24(31)30-11-9-29(10-12-30)14-21-15-32-23(27-21)17-5-7-20(25)8-6-17/h2-8,13,15H,9-12,14H2,1H3
InChIKeyGBQVFUZRZOINGP-UHFFFAOYSA-N
XLogP3.80
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]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

(3-fluorophenyl)-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
CID 42879634
(4-fluorophenyl)-[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 36954997
[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 78857527
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-(3-phenylphenyl)methanone
CID 110646405
(3-fluorophenyl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 34823029
4-ethyl-3-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 56717870
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
N-butan-2-yl-2-[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 86923626
(4-ethylpiperazin-1-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 50828587
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanamine;N-[2-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-5-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-3-carboxamide;3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159124092
4-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-4-carboxamide
CID 91395478
[4-[[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]piperazin-1-yl]-(3,5-difluorophenyl)methanone
CID 46099889

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 71009964) is [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is Cc1nc(-c2cccc(C(=O)N3CCN(Cc4coc(-c5ccc(F)cc5)n4)CC3)c2)no1.
What is the InChIKey of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is GBQVFUZRZOINGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-16-26-22(28-33-16)18-3-2-4-19(13-18)24(31)30-11-9-29(10-12-30)14-21-15-32-23(27-21)17-5-7-20(25)8-6-17/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 447.47 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 71009964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).