4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

C8H9F3N2O3 — CID 131701348

IUPAC4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1nc2c(o1)CCNC2
InChIInChI=1S/C6H8N2O.C2HF3O2/c1-2-7-3-5-6(1)9-4-8-5;3-2(4,5)1(6)7/h4,7H,1-3H2;(H,6,7)
InChIKeyHWDURQXFRYEVPV-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.95
Rot. Bonds

About 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 131701348) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID131701348
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1nc2c(o1)CCNC2
InChIInChI=1S/C6H8N2O.C2HF3O2/c1-2-7-3-5-6(1)9-4-8-5;3-2(4,5)1(6)7/h4,7H,1-3H2;(H,6,7)
InChIKeyHWDURQXFRYEVPV-UHFFFAOYSA-N
XLogP0.95
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (CID 131701348) is 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1nc2c(o1)CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is HWDURQXFRYEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2HF3O2/c1-2-7-3-5-6(1)9-4-8-5;3-2(4,5)1(6)7/h4,7H,1-3H2;(H,6,7).
What are the key properties of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 238.16 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131701348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).