4-(1,3-oxazepin-2-yl)oxadiazepine

C9H7N3O2 — CID 90920846

IUPAC4-(1,3-oxazepin-2-yl)oxadiazepine
SMILESC1=CN=C(C2=CC=CON=N2)OC=C1
InChIInChI=1S/C9H7N3O2/c1-2-6-13-9(10-5-1)8-4-3-7-14-12-11-8/h1-7H
InChIKeyWRPGSJJMDOBUTE-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.24
Rot. Bonds1

About 4-(1,3-oxazepin-2-yl)oxadiazepine

4-(1,3-oxazepin-2-yl)oxadiazepine (PubChem CID 90920846) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 4-(1,3-oxazepin-2-yl)oxadiazepine.

Molecular Properties

Compound Name4-(1,3-oxazepin-2-yl)oxadiazepine
PubChem CID90920846
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name4-(1,3-oxazepin-2-yl)oxadiazepine
SMILESC1=CN=C(C2=CC=CON=N2)OC=C1
InChIInChI=1S/C9H7N3O2/c1-2-6-13-9(10-5-1)8-4-3-7-14-12-11-8/h1-7H
InChIKeyWRPGSJJMDOBUTE-UHFFFAOYSA-N
XLogP2.24
TPSA55.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazepin-2-yl)oxadiazepine?
The IUPAC name of 4-(1,3-oxazepin-2-yl)oxadiazepine (CID 90920846) is 4-(1,3-oxazepin-2-yl)oxadiazepine.
What is the SMILES notation for 4-(1,3-oxazepin-2-yl)oxadiazepine?
The canonical SMILES for 4-(1,3-oxazepin-2-yl)oxadiazepine is C1=CN=C(C2=CC=CON=N2)OC=C1.
What is the InChIKey of 4-(1,3-oxazepin-2-yl)oxadiazepine?
The InChIKey is WRPGSJJMDOBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c1-2-6-13-9(10-5-1)8-4-3-7-14-12-11-8/h1-7H.
What are the key properties of 4-(1,3-oxazepin-2-yl)oxadiazepine?
4-(1,3-oxazepin-2-yl)oxadiazepine has a molecular weight of 189.17 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazepin-2-yl)oxadiazepine is sourced from PubChem (CID 90920846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).