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

C21H20FN3O2 — CID 71511234

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C21H20FN3O2/c1-15-23-19(16-7-3-2-4-8-16)20(27-15)21(26)25-13-11-24(12-14-25)18-10-6-5-9-17(18)22/h2-10H,11-14H2,1H3
InChIKeyWXTPSXRANBFDDO-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.75
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (PubChem CID 71511234) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
PubChem CID71511234
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C21H20FN3O2/c1-15-23-19(16-7-3-2-4-8-16)20(27-15)21(26)25-13-11-24(12-14-25)18-10-6-5-9-17(18)22/h2-10H,11-14H2,1H3
InChIKeyWXTPSXRANBFDDO-UHFFFAOYSA-N
XLogP3.75
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone (CID 71511234) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
The InChIKey is WXTPSXRANBFDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15-23-19(16-7-3-2-4-8-16)20(27-15)21(26)25-13-11-24(12-14-25)18-10-6-5-9-17(18)22/h2-10H,11-14H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 71511234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).