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

C21H18F3N3O2 — CID 71511179

IUPAC[4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C21H18F3N3O2/c1-13-25-19(17-4-2-3-5-18(17)24)20(29-13)21(28)27-8-6-26(7-9-27)16-11-14(22)10-15(23)12-16/h2-5,10-12H,6-9H2,1H3
InChIKeyNAWSMKVWKSQXPH-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.03
Rot. Bonds3

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

[4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (PubChem CID 71511179) has the molecular formula C21H18F3N3O2 and a molecular weight of 401.39 g/mol. Its IUPAC name is [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
PubChem CID71511179
Molecular FormulaC21H18F3N3O2
Molecular Weight401.39 g/mol
Exact Mass401.14
IUPAC Name[4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone
SMILESCc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cc(F)cc(F)c3)CC2)o1
InChIInChI=1S/C21H18F3N3O2/c1-13-25-19(17-4-2-3-5-18(17)24)20(29-13)21(28)27-8-6-26(7-9-27)16-11-14(22)10-15(23)12-16/h2-5,10-12H,6-9H2,1H3
InChIKeyNAWSMKVWKSQXPH-UHFFFAOYSA-N
XLogP4.03
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone (CID 71511179) is [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is Cc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cc(F)cc(F)c3)CC2)o1.
What is the InChIKey of [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
The InChIKey is NAWSMKVWKSQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2/c1-13-25-19(17-4-2-3-5-18(17)24)20(29-13)21(28)27-8-6-26(7-9-27)16-11-14(22)10-15(23)12-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone?
[4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone has a molecular weight of 401.39 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-difluorophenyl)piperazin-1-yl]-[4-(2-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 71511179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).