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

C17H21FN4O2 — CID 24674534

IUPAC(2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)c1noc(CN2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-12(2)16-19-15(24-20-16)11-21-7-9-22(10-8-21)17(23)13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3
InChIKeyWRRMUZYLFMCEOZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.29
Rot. Bonds4

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

(2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 24674534) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID24674534
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name(2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)c1noc(CN2CCN(C(=O)c3ccccc3F)CC2)n1
InChIInChI=1S/C17H21FN4O2/c1-12(2)16-19-15(24-20-16)11-21-7-9-22(10-8-21)17(23)13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3
InChIKeyWRRMUZYLFMCEOZ-UHFFFAOYSA-N
XLogP2.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 24674534) is (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is CC(C)c1noc(CN2CCN(C(=O)c3ccccc3F)CC2)n1.
What is the InChIKey of (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is WRRMUZYLFMCEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-12(2)16-19-15(24-20-16)11-21-7-9-22(10-8-21)17(23)13-5-3-4-6-14(13)18/h3-6,12H,7-11H2,1-2H3.
What are the key properties of (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 332.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24674534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).