4-methyl-1,3-oxazepine

C6H7NO — CID 118454971

IUPAC4-methyl-1,3-oxazepine
SMILESCC1=CC=COC=N1
InChIInChI=1S/C6H7NO/c1-6-3-2-4-8-5-7-6/h2-5H,1H3
InChIKeyQAFLBOBMECAOJM-UHFFFAOYSA-N
MW109.13 g/mol
LogP1.46
Rot. Bonds

About 4-methyl-1,3-oxazepine

4-methyl-1,3-oxazepine (PubChem CID 118454971) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-methyl-1,3-oxazepine.

Molecular Properties

Compound Name4-methyl-1,3-oxazepine
PubChem CID118454971
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-methyl-1,3-oxazepine
SMILESCC1=CC=COC=N1
InChIInChI=1S/C6H7NO/c1-6-3-2-4-8-5-7-6/h2-5H,1H3
InChIKeyQAFLBOBMECAOJM-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-oxazepine?
The IUPAC name of 4-methyl-1,3-oxazepine (CID 118454971) is 4-methyl-1,3-oxazepine.
What is the SMILES notation for 4-methyl-1,3-oxazepine?
The canonical SMILES for 4-methyl-1,3-oxazepine is CC1=CC=COC=N1.
What is the InChIKey of 4-methyl-1,3-oxazepine?
The InChIKey is QAFLBOBMECAOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-6-3-2-4-8-5-7-6/h2-5H,1H3.
What are the key properties of 4-methyl-1,3-oxazepine?
4-methyl-1,3-oxazepine has a molecular weight of 109.13 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-oxazepine is sourced from PubChem (CID 118454971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).