3-imidazol-1-yl-5,6-dihydro-4H-oxazine

C7H9N3O — CID 67639318

IUPAC3-imidazol-1-yl-5,6-dihydro-4H-oxazine
SMILESc1cn(C2=NOCCC2)cn1
InChIInChI=1S/C7H9N3O/c1-2-7(9-11-5-1)10-4-3-8-6-10/h3-4,6H,1-2,5H2
InChIKeyQTNHOSHABGHJME-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.86
Rot. Bonds

About 3-imidazol-1-yl-5,6-dihydro-4H-oxazine

3-imidazol-1-yl-5,6-dihydro-4H-oxazine (PubChem CID 67639318) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-imidazol-1-yl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name3-imidazol-1-yl-5,6-dihydro-4H-oxazine
PubChem CID67639318
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-imidazol-1-yl-5,6-dihydro-4H-oxazine
SMILESc1cn(C2=NOCCC2)cn1
InChIInChI=1S/C7H9N3O/c1-2-7(9-11-5-1)10-4-3-8-6-10/h3-4,6H,1-2,5H2
InChIKeyQTNHOSHABGHJME-UHFFFAOYSA-N
XLogP0.86
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-5,6-dihydro-4H-oxazine?
The IUPAC name of 3-imidazol-1-yl-5,6-dihydro-4H-oxazine (CID 67639318) is 3-imidazol-1-yl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for 3-imidazol-1-yl-5,6-dihydro-4H-oxazine?
The canonical SMILES for 3-imidazol-1-yl-5,6-dihydro-4H-oxazine is c1cn(C2=NOCCC2)cn1.
What is the InChIKey of 3-imidazol-1-yl-5,6-dihydro-4H-oxazine?
The InChIKey is QTNHOSHABGHJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-7(9-11-5-1)10-4-3-8-6-10/h3-4,6H,1-2,5H2.
What are the key properties of 3-imidazol-1-yl-5,6-dihydro-4H-oxazine?
3-imidazol-1-yl-5,6-dihydro-4H-oxazine has a molecular weight of 151.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 67639318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).