4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one

C11H16N2O3 — CID 20589882

IUPAC4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2ccoc2)CCOC1C
InChIInChI=1S/C11H16N2O3/c1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9/h3,5,7-8,10,12H,4,6H2,1-2H3
InChIKeyLUFFQCQUYDWERO-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.62
Rot. Bonds2

About 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one

4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20589882) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20589882
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1C(=O)N(c2ccoc2)CCOC1C
InChIInChI=1S/C11H16N2O3/c1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9/h3,5,7-8,10,12H,4,6H2,1-2H3
InChIKeyLUFFQCQUYDWERO-UHFFFAOYSA-N
XLogP0.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one (CID 20589882) is 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one is CNC1C(=O)N(c2ccoc2)CCOC1C.
What is the InChIKey of 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is LUFFQCQUYDWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-10(12-2)11(14)13(4-6-16-8)9-3-5-15-7-9/h3,5,7-8,10,12H,4,6H2,1-2H3.
What are the key properties of 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one?
4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 224.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-7-methyl-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20589882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).