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

C21H20FN3O2 — CID 2572028

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c1-15-19(23-20(27-15)16-5-3-2-4-6-16)21(26)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10H,11-14H2,1H3
InChIKeySILCKFBZURQFPI-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.75
Rot. Bonds3

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

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 2572028) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID2572028
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O2/c1-15-19(23-20(27-15)16-5-3-2-4-6-16)21(26)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10H,11-14H2,1H3
InChIKeySILCKFBZURQFPI-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-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (CID 2572028) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is SILCKFBZURQFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-15-19(23-20(27-15)16-5-3-2-4-6-16)21(26)25-13-11-24(12-14-25)18-9-7-17(22)8-10-18/h2-10H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-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-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 2572028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).