5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane

C10H15NO2 — CID 117226705

IUPAC5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane
SMILESCc1ccc(C2NCC(C)CO2)o1
InChIInChI=1S/C10H15NO2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyOGJCBVQBQBJMHK-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.84
Rot. Bonds1

About 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane

5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane (PubChem CID 117226705) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane.

Molecular Properties

Compound Name5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane
PubChem CID117226705
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane
SMILESCc1ccc(C2NCC(C)CO2)o1
InChIInChI=1S/C10H15NO2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3
InChIKeyOGJCBVQBQBJMHK-UHFFFAOYSA-N
XLogP1.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane?
The IUPAC name of 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane (CID 117226705) is 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane.
What is the SMILES notation for 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane?
The canonical SMILES for 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane is Cc1ccc(C2NCC(C)CO2)o1.
What is the InChIKey of 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane?
The InChIKey is OGJCBVQBQBJMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-11-10(12-6-7)9-4-3-8(2)13-9/h3-4,7,10-11H,5-6H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane?
5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane has a molecular weight of 181.24 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane is sourced from PubChem (CID 117226705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).