3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine

C14H14N2O4 — CID 117438070

IUPAC3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
SMILESCOc1c2c(c(-c3cc(N)on3)c3c1OCC3)OCC2
InChIInChI=1S/C14H14N2O4/c1-17-13-8-3-5-18-12(8)11(7-2-4-19-14(7)13)9-6-10(15)20-16-9/h6H,2-5,15H2,1H3
InChIKeyKAFYJQKXMXEFCO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine

3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine (PubChem CID 117438070) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
PubChem CID117438070
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine
SMILESCOc1c2c(c(-c3cc(N)on3)c3c1OCC3)OCC2
InChIInChI=1S/C14H14N2O4/c1-17-13-8-3-5-18-12(8)11(7-2-4-19-14(7)13)9-6-10(15)20-16-9/h6H,2-5,15H2,1H3
InChIKeyKAFYJQKXMXEFCO-UHFFFAOYSA-N
XLogP1.80
TPSA79.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine (CID 117438070) is 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine is COc1c2c(c(-c3cc(N)on3)c3c1OCC3)OCC2.
What is the InChIKey of 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine?
The InChIKey is KAFYJQKXMXEFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-17-13-8-3-5-18-12(8)11(7-2-4-19-14(7)13)9-6-10(15)20-16-9/h6H,2-5,15H2,1H3.
What are the key properties of 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine?
3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine has a molecular weight of 274.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117438070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).