[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine

C15H14N2O3 — CID 58443567

IUPAC[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESC=CCc1cc(-c2cc(-c3nc(CN)co3)co2)co1
InChIInChI=1S/C15H14N2O3/c1-2-3-13-4-10(7-18-13)14-5-11(8-19-14)15-17-12(6-16)9-20-15/h2,4-5,7-9H,1,3,6,16H2
InChIKeyONGMBOZHIZWMIH-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.38
Rot. Bonds5

About [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine

[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine (PubChem CID 58443567) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine
PubChem CID58443567
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine
SMILESC=CCc1cc(-c2cc(-c3nc(CN)co3)co2)co1
InChIInChI=1S/C15H14N2O3/c1-2-3-13-4-10(7-18-13)14-5-11(8-19-14)15-17-12(6-16)9-20-15/h2,4-5,7-9H,1,3,6,16H2
InChIKeyONGMBOZHIZWMIH-UHFFFAOYSA-N
XLogP3.38
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine (CID 58443567) is [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine is C=CCc1cc(-c2cc(-c3nc(CN)co3)co2)co1.
What is the InChIKey of [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is ONGMBOZHIZWMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-3-13-4-10(7-18-13)14-5-11(8-19-14)15-17-12(6-16)9-20-15/h2,4-5,7-9H,1,3,6,16H2.
What are the key properties of [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine?
[2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 270.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(5-prop-2-enylfuran-3-yl)furan-3-yl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 58443567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).