4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one

C10H14N2O3 — CID 20589877

IUPAC4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2ccco2)C1=O
InChIInChI=1S/C10H14N2O3/c1-11-8-7-14-6-4-12(10(8)13)9-3-2-5-15-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyWPYQJKIDFONIEH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.23
Rot. Bonds2

About 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one

4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one (PubChem CID 20589877) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one
PubChem CID20589877
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one
SMILESCNC1COCCN(c2ccco2)C1=O
InChIInChI=1S/C10H14N2O3/c1-11-8-7-14-6-4-12(10(8)13)9-3-2-5-15-9/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyWPYQJKIDFONIEH-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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Related Compounds

N-(furan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 137657036
Furylalanin
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CID 69565047
2-Furylglycine methyl ester
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N-(5-morpholin-4-ylfuran-2-yl)acetamide
CID 134839151
4-(Furan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101434
1-(Furan-2-yl)-2-(trifluoromethyl)-1,4-diazepan-5-one
CID 115101565
1-(Furan-2-yl)-2-(trifluoromethyl)-1,4-diazepane
CID 115101697
(3S)-3-amino-4-[carboxymethyl(furan-2-yl)amino]-4-oxobutanoic acid
CID 18609755
1-(Furan-2-yl)piperazine
CID 19763577
1-(Furan-2-yl)-3-(methylamino)azepan-2-one
CID 20589705
1-(Furan-2-yl)-4,4-dimethyl-3-(methylamino)azepan-2-one
CID 20589706

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one?
The IUPAC name of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one (CID 20589877) is 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one.
What is the SMILES notation for 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one?
The canonical SMILES for 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one is CNC1COCCN(c2ccco2)C1=O.
What is the InChIKey of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one?
The InChIKey is WPYQJKIDFONIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-11-8-7-14-6-4-12(10(8)13)9-3-2-5-15-9/h2-3,5,8,11H,4,6-7H2,1H3.
What are the key properties of 4-(furan-2-yl)-6-(methylamino)-1,4-oxazepan-5-one?
4-(furan-2-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-2-yl)-6-(methylamino)-1,4-oxazepan-5-one is sourced from PubChem (CID 20589877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).