5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine

C7H10N2O — CID 68694121

IUPAC5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine
SMILESc1noc2c1CCCNC2
InChIInChI=1S/C7H10N2O/c1-2-6-4-9-10-7(6)5-8-3-1/h4,8H,1-3,5H2
InChIKeyJAUCNRWNTGMQIK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.71
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine

5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine (PubChem CID 68694121) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine
PubChem CID68694121
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine
SMILESc1noc2c1CCCNC2
InChIInChI=1S/C7H10N2O/c1-2-6-4-9-10-7(6)5-8-3-1/h4,8H,1-3,5H2
InChIKeyJAUCNRWNTGMQIK-UHFFFAOYSA-N
XLogP0.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine (CID 68694121) is 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine is c1noc2c1CCCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine?
The InChIKey is JAUCNRWNTGMQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-6-4-9-10-7(6)5-8-3-1/h4,8H,1-3,5H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine?
5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine has a molecular weight of 138.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine is sourced from PubChem (CID 68694121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).