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

C12H10F2N2O — CID 147005051

IUPAC3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESFc1ccc(-c2onc3c2CNCC3)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-7-1-2-8(10(14)5-7)12-9-6-15-4-3-11(9)16-17-12/h1-2,5,15H,3-4,6H2
InChIKeyASTWQRAJPIYHSN-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.27
Rot. Bonds1

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

3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (PubChem CID 147005051) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
PubChem CID147005051
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
SMILESFc1ccc(-c2onc3c2CNCC3)c(F)c1
InChIInChI=1S/C12H10F2N2O/c13-7-1-2-8(10(14)5-7)12-9-6-15-4-3-11(9)16-17-12/h1-2,5,15H,3-4,6H2
InChIKeyASTWQRAJPIYHSN-UHFFFAOYSA-N
XLogP2.27
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The IUPAC name of 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine (CID 147005051) is 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The canonical SMILES for 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is Fc1ccc(-c2onc3c2CNCC3)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
The InChIKey is ASTWQRAJPIYHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-7-1-2-8(10(14)5-7)12-9-6-15-4-3-11(9)16-17-12/h1-2,5,15H,3-4,6H2.
What are the key properties of 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine?
3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine has a molecular weight of 236.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine is sourced from PubChem (CID 147005051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).