2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

C19H11F3N2OS — CID 66880037

IUPAC2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3Sc3ccccc3)nc2c1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)12-6-7-16-15(10-12)24-18(25-16)14-8-9-23-11-17(14)26-13-4-2-1-3-5-13/h1-11H
InChIKeyKUDIPSLHAOEYAR-UHFFFAOYSA-N
MW372.37 g/mol
LogP6.06
Rot. Bonds3

About 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66880037) has the molecular formula C19H11F3N2OS and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66880037
Molecular FormulaC19H11F3N2OS
Molecular Weight372.37 g/mol
Exact Mass372.05
IUPAC Name2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1ccc2oc(-c3ccncc3Sc3ccccc3)nc2c1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)12-6-7-16-15(10-12)24-18(25-16)14-8-9-23-11-17(14)26-13-4-2-1-3-5-13/h1-11H
InChIKeyKUDIPSLHAOEYAR-UHFFFAOYSA-N
XLogP6.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 66880037) is 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1ccc2oc(-c3ccncc3Sc3ccccc3)nc2c1.
What is the InChIKey of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is KUDIPSLHAOEYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS/c20-19(21,22)12-6-7-16-15(10-12)24-18(25-16)14-8-9-23-11-17(14)26-13-4-2-1-3-5-13/h1-11H.
What are the key properties of 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 372.37 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66880037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).