[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone

C18H22FN3O2 — CID 5308520

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H22FN3O2/c1-13(2)11-16-12-17(20-24-16)18(23)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6,12-13H,7-11H2,1-2H3
InChIKeyHRRDYLFFGXEPIH-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.97
Rot. Bonds4

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

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (PubChem CID 5308520) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
PubChem CID5308520
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C18H22FN3O2/c1-13(2)11-16-12-17(20-24-16)18(23)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6,12-13H,7-11H2,1-2H3
InChIKeyHRRDYLFFGXEPIH-UHFFFAOYSA-N
XLogP2.97
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone (CID 5308520) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is HRRDYLFFGXEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-13(2)11-16-12-17(20-24-16)18(23)22-9-7-21(8-10-22)15-5-3-14(19)4-6-15/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 331.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 5308520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).