2-methyl-2H-1,3-oxazine

C5H7NO — CID 22922819

IUPAC2-methyl-2H-1,3-oxazine
SMILESCC1N=CC=CO1
InChIInChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2-5H,1H3
InChIKeyCTZDCUSZXMZFNM-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.95
Rot. Bonds

About 2-methyl-2H-1,3-oxazine

2-methyl-2H-1,3-oxazine (PubChem CID 22922819) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 2-methyl-2H-1,3-oxazine.

Molecular Properties

Compound Name2-methyl-2H-1,3-oxazine
PubChem CID22922819
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name2-methyl-2H-1,3-oxazine
SMILESCC1N=CC=CO1
InChIInChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2-5H,1H3
InChIKeyCTZDCUSZXMZFNM-UHFFFAOYSA-N
XLogP0.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2H-1,3-oxazine?
The IUPAC name of 2-methyl-2H-1,3-oxazine (CID 22922819) is 2-methyl-2H-1,3-oxazine.
What is the SMILES notation for 2-methyl-2H-1,3-oxazine?
The canonical SMILES for 2-methyl-2H-1,3-oxazine is CC1N=CC=CO1.
What is the InChIKey of 2-methyl-2H-1,3-oxazine?
The InChIKey is CTZDCUSZXMZFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c1-5-6-3-2-4-7-5/h2-5H,1H3.
What are the key properties of 2-methyl-2H-1,3-oxazine?
2-methyl-2H-1,3-oxazine has a molecular weight of 97.12 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2H-1,3-oxazine is sourced from PubChem (CID 22922819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).