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

C21H18F4N4O2 — CID 66576539

IUPAC[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H18F4N4O2/c22-13-5-7-14(8-6-13)28-9-11-29(12-10-28)20(30)17-18(27-31-19(17)26)15-3-1-2-4-16(15)21(23,24)25/h1-8H,9-12,26H2
InChIKeyYWKHCCDHTNSEAK-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.04
Rot. Bonds3

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

[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 66576539) has the molecular formula C21H18F4N4O2 and a molecular weight of 434.39 g/mol. Its IUPAC name is [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID66576539
Molecular FormulaC21H18F4N4O2
Molecular Weight434.39 g/mol
Exact Mass434.14
IUPAC Name[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESNc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H18F4N4O2/c22-13-5-7-14(8-6-13)28-9-11-29(12-10-28)20(30)17-18(27-31-19(17)26)15-3-1-2-4-16(15)21(23,24)25/h1-8H,9-12,26H2
InChIKeyYWKHCCDHTNSEAK-UHFFFAOYSA-N
XLogP4.04
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 70981942
[4-(4-fluorophenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanone
CID 70980862
[5-amino-3-(2-fluorophenyl)-1,2-oxazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 70981197
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-methyl-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 66576701
[5-amino-3-(2-chlorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66576077
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
CID 162800213
[5-amino-3-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 70982322
[5-amino-3-[3-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 66576387
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2741605
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 53064596

Frequently Asked Questions

What is the IUPAC name of [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 66576539) is [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Nc1onc(-c2ccccc2C(F)(F)F)c1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is YWKHCCDHTNSEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2/c22-13-5-7-14(8-6-13)28-9-11-29(12-10-28)20(30)17-18(27-31-19(17)26)15-3-1-2-4-16(15)21(23,24)25/h1-8H,9-12,26H2.
What are the key properties of [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 434.39 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66576539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).