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

C16H10F3N3OS — CID 32510769

IUPAC2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1nc2ccccc2n1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)15-21-11-4-1-2-5-12(11)22(15)8-10-9-23-14(20-10)13-6-3-7-24-13/h1-7,9H,8H2
InChIKeyHKYCHGPYGJKSPI-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.82
Rot. Bonds3

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

2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (PubChem CID 32510769) has the molecular formula C16H10F3N3OS and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
PubChem CID32510769
Molecular FormulaC16H10F3N3OS
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESFC(F)(F)c1nc2ccccc2n1Cc1coc(-c2cccs2)n1
InChIInChI=1S/C16H10F3N3OS/c17-16(18,19)15-21-11-4-1-2-5-12(11)22(15)8-10-9-23-14(20-10)13-6-3-7-24-13/h1-7,9H,8H2
InChIKeyHKYCHGPYGJKSPI-UHFFFAOYSA-N
XLogP4.82
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (CID 32510769) is 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is FC(F)(F)c1nc2ccccc2n1Cc1coc(-c2cccs2)n1.
What is the InChIKey of 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is HKYCHGPYGJKSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3OS/c17-16(18,19)15-21-11-4-1-2-5-12(11)22(15)8-10-9-23-14(20-10)13-6-3-7-24-13/h1-7,9H,8H2.
What are the key properties of 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 349.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 32510769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).