2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C14H9F3N2O — CID 82337922

IUPAC2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-7-11-13(18-8-10)20-12(19-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyASNOGMCYNCHHSU-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.83
Rot. Bonds2

About 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337922) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337922
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1cnc2oc(Cc3ccccc3)nc2c1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)10-7-11-13(18-8-10)20-12(19-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKeyASNOGMCYNCHHSU-UHFFFAOYSA-N
XLogP3.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(thiophen-2-ylmethyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337921
6-methyl-2-(2-phenylethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 82337860
5-benzyl-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 23605175
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
2-(3-ethylsulfonylquinolin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 129100027
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
2-(6-bromo-3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 126574537
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-(3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 90327224
2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66880533
N-(2-benzyl-1,3-benzoxazol-5-yl)-2,2,2-trifluoroacetamide
CID 17163179
3-[[4-(trifluoromethyl)phenyl]methyl]quinoline
CID 154466638

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337922) is 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1cnc2oc(Cc3ccccc3)nc2c1.
What is the InChIKey of 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ASNOGMCYNCHHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)10-7-11-13(18-8-10)20-12(19-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2.
What are the key properties of 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 278.23 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).