3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole

C18H11ClF3N3O — CID 146723704

IUPAC3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1nc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H11ClF3N3O/c19-12-7-5-11(6-8-12)15-9-13(26-24-15)10-25-16-4-2-1-3-14(16)23-17(25)18(20,21)22/h1-9H,10H2
InChIKeyRFMCELICURUAHA-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.41
Rot. Bonds3

About 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole

3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 146723704) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
PubChem CID146723704
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC Name3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
SMILESFC(F)(F)c1nc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H11ClF3N3O/c19-12-7-5-11(6-8-12)15-9-13(26-24-15)10-25-16-4-2-1-3-14(16)23-17(25)18(20,21)22/h1-9H,10H2
InChIKeyRFMCELICURUAHA-UHFFFAOYSA-N
XLogP5.41
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorobenzyl)-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1h-Benzimidazole
CID 72201024
3-(4-Chlorophenyl)-5-[[2-(2-fluorophenyl)imidazo[4,5-d]pyridazin-5-yl]methyl]-1,2-oxazole
CID 25204930
4-[3-[(4-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667406
4-[3-[(2-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667410
4-[3-[(3-Chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90667405
3-(4-Chlorophenyl)-5-[[2-(2,3-difluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]isoxazole
CID 15986473
5-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-3-[(3,4-dichlorophenyl)methyl]-1,2-oxazole
CID 172442609
3-(4-chlorophenyl)-5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-1,2-oxazole
CID 91030422
3-(4-chlorophenyl)-5-[(1-isopropyl-1H-imidazol-2-yl)methyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56738544
1-([3-(3-Chlorophenyl)-1,2-oxazol-5-yl]methyl)-1,3-benzodiazole
CID 46949465
3-(4-Chlorophenyl)-5-[[8-(2,3-difluorophenyl)purin-1-yl]methyl]isoxazole
CID 11704519
1-[[3-(4-Chlorophenyl)-1,2-oxazol-5-yl]methyl]-5-phenyl-3-propyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
CID 139231968

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole (CID 146723704) is 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole is FC(F)(F)c1nc2ccccc2n1Cc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
The InChIKey is RFMCELICURUAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c19-12-7-5-11(6-8-12)15-9-13(26-24-15)10-25-16-4-2-1-3-14(16)23-17(25)18(20,21)22/h1-9H,10H2.
What are the key properties of 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole?
3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 377.75 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 146723704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).