2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

C23H24FN3O2 — CID 134113416

IUPAC2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
SMILESCN1CCN(C(=O)C(Cc2cc(-c3ccccc3)no2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN3O2/c1-26-11-13-27(14-12-26)23(28)21(17-7-9-19(24)10-8-17)15-20-16-22(25-29-20)18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3
InChIKeyQQMBFSBLXDXOAS-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 134113416) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
PubChem CID134113416
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
SMILESCN1CCN(C(=O)C(Cc2cc(-c3ccccc3)no2)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24FN3O2/c1-26-11-13-27(14-12-26)23(28)21(17-7-9-19(24)10-8-17)15-20-16-22(25-29-20)18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3
InChIKeyQQMBFSBLXDXOAS-UHFFFAOYSA-N
XLogP3.58
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (CID 134113416) is 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is CN1CCN(C(=O)C(Cc2cc(-c3ccccc3)no2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is QQMBFSBLXDXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-26-11-13-27(14-12-26)23(28)21(17-7-9-19(24)10-8-17)15-20-16-22(25-29-20)18-5-3-2-4-6-18/h2-10,16,21H,11-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 393.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 134113416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).