(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone

C18H22N4O3 — CID 110396543

IUPAC(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-12(2)15-19-20-16(25-15)18(24)22-9-7-21(8-10-22)17(23)14-6-4-5-13(3)11-14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyGMGSGNXSVFJDQW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.10
Rot. Bonds3

About (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone

(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110396543) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110396543
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-12(2)15-19-20-16(25-15)18(24)22-9-7-21(8-10-22)17(23)14-6-4-5-13(3)11-14/h4-6,11-12H,7-10H2,1-3H3
InChIKeyGMGSGNXSVFJDQW-UHFFFAOYSA-N
XLogP2.10
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396546
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110396609
(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110393045
N-phenyl-4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazine-1-carboxamide
CID 110396572
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603131
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(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-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone (CID 110396543) is (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(C(=O)c3nnc(C(C)C)o3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GMGSGNXSVFJDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(2)15-19-20-16(25-15)18(24)22-9-7-21(8-10-22)17(23)14-6-4-5-13(3)11-14/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110396543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).