(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

C16H19BrN4O2 — CID 110603131

IUPAC(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(N2CCN(C(=O)c3cccc(Br)c3)CC2)o1
InChIInChI=1S/C16H19BrN4O2/c1-11(2)14-18-19-16(23-14)21-8-6-20(7-9-21)15(22)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeySLPMOORFPAYJDG-UHFFFAOYSA-N
MW379.26 g/mol
LogP2.92
Rot. Bonds3

About (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 110603131) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID110603131
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(N2CCN(C(=O)c3cccc(Br)c3)CC2)o1
InChIInChI=1S/C16H19BrN4O2/c1-11(2)14-18-19-16(23-14)21-8-6-20(7-9-21)15(22)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeySLPMOORFPAYJDG-UHFFFAOYSA-N
XLogP2.92
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-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

(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871
5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 110610852
(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
(5-phenyl-1,2-oxazol-3-yl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110619764
(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396546
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
(3-bromophenyl)-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 110328430
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]benzonitrile
CID 110419177
(3-bromo-5-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110610752
(3-bromophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506422

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (CID 110603131) is (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is CC(C)c1nnc(N2CCN(C(=O)c3cccc(Br)c3)CC2)o1.
What is the InChIKey of (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is SLPMOORFPAYJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11(2)14-18-19-16(23-14)21-8-6-20(7-9-21)15(22)12-4-3-5-13(17)10-12/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 379.26 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110603131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).