2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

C13H7F3N2O — CID 19979597

IUPAC2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3cccnc3o2)cc1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-5-3-8(4-6-9)11-18-10-2-1-7-17-12(10)19-11/h1-7H
InChIKeyHXCMIOWAJTZICC-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.91
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine

2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 19979597) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
PubChem CID19979597
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1ccc(-c2nc3cccnc3o2)cc1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)9-5-3-8(4-6-9)11-18-10-2-1-7-17-12(10)19-11/h1-7H
InChIKeyHXCMIOWAJTZICC-UHFFFAOYSA-N
XLogP3.91
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine (CID 19979597) is 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1ccc(-c2nc3cccnc3o2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is HXCMIOWAJTZICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)9-5-3-8(4-6-9)11-18-10-2-1-7-17-12(10)19-11/h1-7H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine?
2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 264.21 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 19979597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).