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

C7H9FN2O — CID 84731373

IUPAC3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESFCc1noc2c1CCNC2
InChIInChI=1S/C7H9FN2O/c8-3-6-5-1-2-9-4-7(5)11-10-6/h9H,1-4H2
InChIKeyJGDBAHDCWBLIAL-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.79
Rot. Bonds1

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

3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (PubChem CID 84731373) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
PubChem CID84731373
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
SMILESFCc1noc2c1CCNC2
InChIInChI=1S/C7H9FN2O/c8-3-6-5-1-2-9-4-7(5)11-10-6/h9H,1-4H2
InChIKeyJGDBAHDCWBLIAL-UHFFFAOYSA-N
XLogP0.79
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The IUPAC name of 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine (CID 84731373) is 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The canonical SMILES for 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is FCc1noc2c1CCNC2.
What is the InChIKey of 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
The InChIKey is JGDBAHDCWBLIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-3-6-5-1-2-9-4-7(5)11-10-6/h9H,1-4H2.
What are the key properties of 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine?
3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine has a molecular weight of 156.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84731373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).