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

C19H14F3N3O — CID 24623437

IUPAC5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H14F3N3O/c1-12-15(23-17(26-12)13-7-3-2-4-8-13)11-25-16-10-6-5-9-14(16)24-18(25)19(20,21)22/h2-10H,11H2,1H3
InChIKeyAYDURBXINFNCKA-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.07
Rot. Bonds3

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

5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (PubChem CID 24623437) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
PubChem CID24623437
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C19H14F3N3O/c1-12-15(23-17(26-12)13-7-3-2-4-8-13)11-25-16-10-6-5-9-14(16)24-18(25)19(20,21)22/h2-10H,11H2,1H3
InChIKeyAYDURBXINFNCKA-UHFFFAOYSA-N
XLogP5.07
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (CID 24623437) is 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is AYDURBXINFNCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-12-15(23-17(26-12)13-7-3-2-4-8-13)11-25-16-10-6-5-9-14(16)24-18(25)19(20,21)22/h2-10H,11H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 357.34 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 24623437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).