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

C17H19FN4O3 — CID 110396546

IUPAC(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C17H19FN4O3/c1-11(2)14-19-20-15(25-14)17(24)22-8-6-21(7-9-22)16(23)12-4-3-5-13(18)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeySJOUZLXYFAACGK-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.93
Rot. Bonds3

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

(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110396546) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110396546
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C17H19FN4O3/c1-11(2)14-19-20-15(25-14)17(24)22-8-6-21(7-9-22)16(23)12-4-3-5-13(18)10-12/h3-5,10-11H,6-9H2,1-2H3
InChIKeySJOUZLXYFAACGK-UHFFFAOYSA-N
XLogP1.93
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylphenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone
CID 110396543
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(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
(3-bromophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110603131
(3-fluorophenyl)-[4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 60506705
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methanone
CID 110393038
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119710242
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone (CID 110396546) is (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone is CC(C)c1nnc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)o1.
What is the InChIKey of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is SJOUZLXYFAACGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-11(2)14-19-20-15(25-14)17(24)22-8-6-21(7-9-22)16(23)12-4-3-5-13(18)10-12/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 346.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110396546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).