6H-[1,3]oxazolo[5,4-c]azepine

C7H6N2O — CID 66579764

IUPAC6H-[1,3]oxazolo[5,4-c]azepine
SMILESC1=Cc2ncoc2C=NC1
InChIInChI=1S/C7H6N2O/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,3H2
InChIKeyWSGFRRJLQLIZSF-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.12
Rot. Bonds

About 6H-[1,3]oxazolo[5,4-c]azepine

6H-[1,3]oxazolo[5,4-c]azepine (PubChem CID 66579764) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 6H-[1,3]oxazolo[5,4-c]azepine.

Molecular Properties

Compound Name6H-[1,3]oxazolo[5,4-c]azepine
PubChem CID66579764
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name6H-[1,3]oxazolo[5,4-c]azepine
SMILESC1=Cc2ncoc2C=NC1
InChIInChI=1S/C7H6N2O/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,3H2
InChIKeyWSGFRRJLQLIZSF-UHFFFAOYSA-N
XLogP1.12
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-[1,3]oxazolo[5,4-c]azepine?
The IUPAC name of 6H-[1,3]oxazolo[5,4-c]azepine (CID 66579764) is 6H-[1,3]oxazolo[5,4-c]azepine.
What is the SMILES notation for 6H-[1,3]oxazolo[5,4-c]azepine?
The canonical SMILES for 6H-[1,3]oxazolo[5,4-c]azepine is C1=Cc2ncoc2C=NC1.
What is the InChIKey of 6H-[1,3]oxazolo[5,4-c]azepine?
The InChIKey is WSGFRRJLQLIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-2-6-7(4-8-3-1)10-5-9-6/h1-2,4-5H,3H2.
What are the key properties of 6H-[1,3]oxazolo[5,4-c]azepine?
6H-[1,3]oxazolo[5,4-c]azepine has a molecular weight of 134.14 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1,3]oxazolo[5,4-c]azepine is sourced from PubChem (CID 66579764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).