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

C21H22N4O2 — CID 110395665

IUPAC(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-16-6-5-9-18(14-16)21(26)25-12-10-24(11-13-25)15-19-22-23-20(27-19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyJVFKVZUJGULJID-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.00
Rot. Bonds4

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

(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 110395665) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID110395665
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H22N4O2/c1-16-6-5-9-18(14-16)21(26)25-12-10-24(11-13-25)15-19-22-23-20(27-19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3
InChIKeyJVFKVZUJGULJID-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 37084291
(3,5-dimethylphenyl)-[4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30871497
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
[2-(difluoromethoxy)phenyl]-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 78845953
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 134048136
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone
CID 166206338
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 110395665) is (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is JVFKVZUJGULJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-16-6-5-9-18(14-16)21(26)25-12-10-24(11-13-25)15-19-22-23-20(27-19)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3.
What are the key properties of (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
(3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110395665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).