ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine

C8H14N2O — CID 144797685

IUPACethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCC.c1nc2c(o1)CNCC2
InChIInChI=1S/C6H8N2O.C2H6/c1-2-7-3-6-5(1)8-4-9-6;1-2/h4,7H,1-3H2;1-2H3
InChIKeyBAYNBLQQKFUERN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.35
Rot. Bonds

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

ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 144797685) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Nameethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID144797685
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
SMILESCC.c1nc2c(o1)CNCC2
InChIInChI=1S/C6H8N2O.C2H6/c1-2-7-3-6-5(1)8-4-9-6;1-2/h4,7H,1-3H2;1-2H3
InChIKeyBAYNBLQQKFUERN-UHFFFAOYSA-N
XLogP1.35
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine (CID 144797685) is ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is CC.c1nc2c(o1)CNCC2.
What is the InChIKey of ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is BAYNBLQQKFUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.C2H6/c1-2-7-3-6-5(1)8-4-9-6;1-2/h4,7H,1-3H2;1-2H3.
What are the key properties of ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine?
ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 154.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 144797685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).