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

C10H14N2O3 — CID 20589881

IUPAC4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2ccoc2)C1=O
InChIInChI=1S/C10H14N2O3/c1-11-9-7-15-5-3-12(10(9)13)8-2-4-14-6-8/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyLJAFHBOBINSQJW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.23
Rot. Bonds2

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

4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20589881) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20589881
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2ccoc2)C1=O
InChIInChI=1S/C10H14N2O3/c1-11-9-7-15-5-3-12(10(9)13)8-2-4-14-6-8/h2,4,6,9,11H,3,5,7H2,1H3
InChIKeyLJAFHBOBINSQJW-UHFFFAOYSA-N
XLogP0.23
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.23
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)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one (CID 20589881) is 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(c2ccoc2)C1=O.
What is the InChIKey of 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is LJAFHBOBINSQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-9-7-15-5-3-12(10(9)13)8-2-4-14-6-8/h2,4,6,9,11H,3,5,7H2,1H3.
What are the key properties of 4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one has a molecular weight of 210.23 g/mol, XLogP of 0.23, 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)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20589881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).