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

C9H13FN2O — CID 84769386

IUPAC2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)(F)c1nc2c(o1)CNCC2
InChIInChI=1S/C9H13FN2O/c1-9(2,10)8-12-6-3-4-11-5-7(6)13-8/h11H,3-5H2,1-2H3
InChIKeyAJORIVCHXBKBNC-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.52
Rot. Bonds1

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

2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 84769386) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID84769386
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)(F)c1nc2c(o1)CNCC2
InChIInChI=1S/C9H13FN2O/c1-9(2,10)8-12-6-3-4-11-5-7(6)13-8/h11H,3-5H2,1-2H3
InChIKeyAJORIVCHXBKBNC-UHFFFAOYSA-N
XLogP1.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (CID 84769386) is 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is CC(C)(F)c1nc2c(o1)CNCC2.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is AJORIVCHXBKBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-9(2,10)8-12-6-3-4-11-5-7(6)13-8/h11H,3-5H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 184.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 84769386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).