2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole

C16H9F3N2O — CID 129201799

IUPAC2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3c(ccc4cc[nH]c43)o2)cc1
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)11-4-1-10(2-5-11)15-21-14-12(22-15)6-3-9-7-8-20-13(9)14/h1-8,20H
InChIKeyBTEZTVLEJLHUHH-UHFFFAOYSA-N
MW302.26 g/mol
LogP4.99
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole

2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole (PubChem CID 129201799) has the molecular formula C16H9F3N2O and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole
PubChem CID129201799
Molecular FormulaC16H9F3N2O
Molecular Weight302.26 g/mol
Exact Mass302.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole
SMILESFC(F)(F)c1ccc(-c2nc3c(ccc4cc[nH]c43)o2)cc1
InChIInChI=1S/C16H9F3N2O/c17-16(18,19)11-4-1-10(2-5-11)15-21-14-12(22-15)6-3-9-7-8-20-13(9)14/h1-8,20H
InChIKeyBTEZTVLEJLHUHH-UHFFFAOYSA-N
XLogP4.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][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-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole (CID 129201799) is 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole is FC(F)(F)c1ccc(-c2nc3c(ccc4cc[nH]c43)o2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole?
The InChIKey is BTEZTVLEJLHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O/c17-16(18,19)11-4-1-10(2-5-11)15-21-14-12(22-15)6-3-9-7-8-20-13(9)14/h1-8,20H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole?
2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole has a molecular weight of 302.26 g/mol, XLogP of 4.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-8H-pyrrolo[2,3-e][1,3]benzoxazole is sourced from PubChem (CID 129201799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).