6H-[1,2]oxazolo[4,5-g][1]benzazepine

C11H8N2O — CID 136980671

IUPAC6H-[1,2]oxazolo[4,5-g][1]benzazepine
SMILESC1=CNc2ccc3oncc3c2C=C1
InChIInChI=1S/C11H8N2O/c1-2-6-12-10-4-5-11-9(7-13-14-11)8(10)3-1/h1-7,12H
InChIKeyLEHOOXZOXQWYPJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.78
Rot. Bonds

About 6H-[1,2]oxazolo[4,5-g][1]benzazepine

6H-[1,2]oxazolo[4,5-g][1]benzazepine (PubChem CID 136980671) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 6H-[1,2]oxazolo[4,5-g][1]benzazepine.

Molecular Properties

Compound Name6H-[1,2]oxazolo[4,5-g][1]benzazepine
PubChem CID136980671
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name6H-[1,2]oxazolo[4,5-g][1]benzazepine
SMILESC1=CNc2ccc3oncc3c2C=C1
InChIInChI=1S/C11H8N2O/c1-2-6-12-10-4-5-11-9(7-13-14-11)8(10)3-1/h1-7,12H
InChIKeyLEHOOXZOXQWYPJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6H-[1,2]oxazolo[4,5-g][1]benzazepine?
The IUPAC name of 6H-[1,2]oxazolo[4,5-g][1]benzazepine (CID 136980671) is 6H-[1,2]oxazolo[4,5-g][1]benzazepine.
What is the SMILES notation for 6H-[1,2]oxazolo[4,5-g][1]benzazepine?
The canonical SMILES for 6H-[1,2]oxazolo[4,5-g][1]benzazepine is C1=CNc2ccc3oncc3c2C=C1.
What is the InChIKey of 6H-[1,2]oxazolo[4,5-g][1]benzazepine?
The InChIKey is LEHOOXZOXQWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-6-12-10-4-5-11-9(7-13-14-11)8(10)3-1/h1-7,12H.
What are the key properties of 6H-[1,2]oxazolo[4,5-g][1]benzazepine?
6H-[1,2]oxazolo[4,5-g][1]benzazepine has a molecular weight of 184.20 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1,2]oxazolo[4,5-g][1]benzazepine is sourced from PubChem (CID 136980671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).