4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C9H11F3N2O — CID 70258606

IUPAC4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1c2nc(C(F)(F)F)oc2CCN1C
InChIInChI=1S/C9H11F3N2O/c1-5-7-6(3-4-14(5)2)15-8(13-7)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyNYKLMBXZECNCBX-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.24
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 70258606) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID70258606
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCC1c2nc(C(F)(F)F)oc2CCN1C
InChIInChI=1S/C9H11F3N2O/c1-5-7-6(3-4-14(5)2)15-8(13-7)9(10,11)12/h5H,3-4H2,1-2H3
InChIKeyNYKLMBXZECNCBX-UHFFFAOYSA-N
XLogP2.24
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 70258606) is 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is CC1c2nc(C(F)(F)F)oc2CCN1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is NYKLMBXZECNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5-7-6(3-4-14(5)2)15-8(13-7)9(10,11)12/h5H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 220.19 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 70258606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).