[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C21H22N4O2 — CID 665605

IUPAC[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2noc(-c3ccccc3C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-7-9-16(10-8-15)19-22-20(27-23-19)17-5-3-4-6-18(17)21(26)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3
InChIKeyKJAJPXKSFPQKPK-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.10
Rot. Bonds3

About [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 665605) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID665605
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2noc(-c3ccccc3C(=O)N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-7-9-16(10-8-15)19-22-20(27-23-19)17-5-3-4-6-18(17)21(26)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3
InChIKeyKJAJPXKSFPQKPK-UHFFFAOYSA-N
XLogP3.10
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-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

5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole
CID 577305
[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
4-[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzoyl]morpholine
CID 2019832
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
N-(3,3-Dimethyl-butyl)-4-(3-phenyl-[1,2,4]oxadiazol-5-yl)-benzamide
CID 11078601
4-[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62925494
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 151566527
3-(4-tert-butylphenyl)-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2,4-oxadiazole
CID 152688549
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
CID 665413
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzamide
CID 665849
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
CID 665852

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 665605) is [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(-c2noc(-c3ccccc3C(=O)N3CCN(C)CC3)n2)cc1.
What is the InChIKey of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KJAJPXKSFPQKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-7-9-16(10-8-15)19-22-20(27-23-19)17-5-3-4-6-18(17)21(26)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3.
What are the key properties of [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 665605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).