[1,3]oxazolo[2,3-c][1,4]benzodiazepine

C11H8N2O — CID 57469474

IUPAC[1,3]oxazolo[2,3-c][1,4]benzodiazepine
SMILESC1=CN2C=c3ccccc3=NC=C2O1
InChIInChI=1S/C11H8N2O/c1-2-4-10-9(3-1)8-13-5-6-14-11(13)7-12-10/h1-8H
InChIKeyZTEDYJOYKIHTGP-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.66
Rot. Bonds

About [1,3]oxazolo[2,3-c][1,4]benzodiazepine

[1,3]oxazolo[2,3-c][1,4]benzodiazepine (PubChem CID 57469474) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is [1,3]oxazolo[2,3-c][1,4]benzodiazepine.

Molecular Properties

Compound Name[1,3]oxazolo[2,3-c][1,4]benzodiazepine
PubChem CID57469474
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name[1,3]oxazolo[2,3-c][1,4]benzodiazepine
SMILESC1=CN2C=c3ccccc3=NC=C2O1
InChIInChI=1S/C11H8N2O/c1-2-4-10-9(3-1)8-13-5-6-14-11(13)7-12-10/h1-8H
InChIKeyZTEDYJOYKIHTGP-UHFFFAOYSA-N
XLogP0.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,3]oxazolo[2,3-c][1,4]benzodiazepine?
The IUPAC name of [1,3]oxazolo[2,3-c][1,4]benzodiazepine (CID 57469474) is [1,3]oxazolo[2,3-c][1,4]benzodiazepine.
What is the SMILES notation for [1,3]oxazolo[2,3-c][1,4]benzodiazepine?
The canonical SMILES for [1,3]oxazolo[2,3-c][1,4]benzodiazepine is C1=CN2C=c3ccccc3=NC=C2O1.
What is the InChIKey of [1,3]oxazolo[2,3-c][1,4]benzodiazepine?
The InChIKey is ZTEDYJOYKIHTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c1-2-4-10-9(3-1)8-13-5-6-14-11(13)7-12-10/h1-8H.
What are the key properties of [1,3]oxazolo[2,3-c][1,4]benzodiazepine?
[1,3]oxazolo[2,3-c][1,4]benzodiazepine has a molecular weight of 184.20 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]oxazolo[2,3-c][1,4]benzodiazepine is sourced from PubChem (CID 57469474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).