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

C16H19FN4O2 — CID 110419319

IUPAC(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C16H19FN4O2/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
InChIKeyKBXBIIIXKNXKKD-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.29
Rot. Bonds3

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

(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 110419319) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
PubChem CID110419319
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
SMILESCC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)o1
InChIInChI=1S/C16H19FN4O2/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
InChIKeyKBXBIIIXKNXKKD-UHFFFAOYSA-N
XLogP2.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone (CID 110419319) is (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone is CC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)o1.
What is the InChIKey of (3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is KBXBIIIXKNXKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/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-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 2.29, 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-oxadiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110419319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).