4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C8H9F3N2O — CID 67195172

IUPAC4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1NCCc2oc(C(F)(F)F)nc21
InChIInChI=1S/C8H9F3N2O/c1-4-6-5(2-3-12-4)14-7(13-6)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyLJQOCAGDAPPNIS-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.90
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 67195172) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID67195172
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1NCCc2oc(C(F)(F)F)nc21
InChIInChI=1S/C8H9F3N2O/c1-4-6-5(2-3-12-4)14-7(13-6)8(9,10)11/h4,12H,2-3H2,1H3
InChIKeyLJQOCAGDAPPNIS-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 67195172) is 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is CC1NCCc2oc(C(F)(F)F)nc21.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is LJQOCAGDAPPNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-6-5(2-3-12-4)14-7(13-6)8(9,10)11/h4,12H,2-3H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 206.17 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67195172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).