4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C21H19F3N2O — CID 122226601

IUPAC4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)17-11-9-16(10-12-17)19-25-18(15-7-3-1-4-8-15)20(27-19)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyKALYTVVWFDQKBS-UHFFFAOYSA-N
MW372.39 g/mol
LogP6.02
Rot. Bonds3

About 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole

4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 122226601) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID122226601
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccc(-c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1
InChIInChI=1S/C21H19F3N2O/c22-21(23,24)17-11-9-16(10-12-17)19-25-18(15-7-3-1-4-8-15)20(27-19)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-14H2
InChIKeyKALYTVVWFDQKBS-UHFFFAOYSA-N
XLogP6.02
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dimethyl-POPOP
CID 76491
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520
2-(4-Methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole-4-carbonitrile
CID 693639
2-(2-Fluorophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
CID 940212
1-[4-Cyano-2-(4-methylphenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 2408550
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
2-Phenyl-5-(2-piperidin-1-ylethylamino)-1,3-oxazole-4-carbonitrile
CID 696134
2-(2-Fluorophenyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 892559
2-({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-YL]methyl}sulfanyl)-1-[4-(4-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 16007827

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 122226601) is 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccc(-c2nc(-c3ccccc3)c(N3CCCCC3)o2)cc1.
What is the InChIKey of 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is KALYTVVWFDQKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c22-21(23,24)17-11-9-16(10-12-17)19-25-18(15-7-3-1-4-8-15)20(27-19)26-13-5-2-6-14-26/h1,3-4,7-12H,2,5-6,13-14H2.
What are the key properties of 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 372.39 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 122226601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).