5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine

C7H10N2O — CID 57218212

IUPAC5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
SMILESc1nc2c(o1)CCNCC2
InChIInChI=1S/C7H10N2O/c1-3-8-4-2-7-6(1)9-5-10-7/h5,8H,1-4H2
InChIKeyOWDYXIFFWAQPLT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.36
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine

5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine (PubChem CID 57218212) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
PubChem CID57218212
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
SMILESc1nc2c(o1)CCNCC2
InChIInChI=1S/C7H10N2O/c1-3-8-4-2-7-6(1)9-5-10-7/h5,8H,1-4H2
InChIKeyOWDYXIFFWAQPLT-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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-[1,3]oxazolo[4,5-d]azepine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine (CID 57218212) is 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine is c1nc2c(o1)CCNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine?
The InChIKey is OWDYXIFFWAQPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-8-4-2-7-6(1)9-5-10-7/h5,8H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine?
5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine has a molecular weight of 138.17 g/mol, XLogP of 0.36, 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-[1,3]oxazolo[4,5-d]azepine is sourced from PubChem (CID 57218212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).