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

C21H19ClFN3O2 — CID 71511394

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C21H19ClFN3O2/c1-14-24-19(15-5-7-17(23)8-6-15)20(28-14)21(27)26-11-9-25(10-12-26)18-4-2-3-16(22)13-18/h2-8,13H,9-12H2,1H3
InChIKeyARXUDUIUHDGDEV-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.40
Rot. Bonds3

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

[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (PubChem CID 71511394) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
PubChem CID71511394
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C21H19ClFN3O2/c1-14-24-19(15-5-7-17(23)8-6-15)20(28-14)21(27)26-11-9-25(10-12-26)18-4-2-3-16(22)13-18/h2-8,13H,9-12H2,1H3
InChIKeyARXUDUIUHDGDEV-UHFFFAOYSA-N
XLogP4.40
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
CID 71511351
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-(2,3,4-trifluorophenyl)-1,3-oxazol-5-yl]methanone
CID 142714502
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 71511183
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanethione
CID 16957254
[4-(2,5-dimethylphenyl)piperazin-1-yl]-(2-methyl-4-phenyl-1,3-oxazol-5-yl)methanone
CID 71511296
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
CID 71511329
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (CID 71511394) is [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The InChIKey is ARXUDUIUHDGDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c1-14-24-19(15-5-7-17(23)8-6-15)20(28-14)21(27)26-11-9-25(10-12-26)18-4-2-3-16(22)13-18/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone has a molecular weight of 399.85 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).