[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

C12H12N2O4 — CID 3239637

IUPAC[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCOCC1
InChIInChI=1S/C12H12N2O4/c15-12(14-3-6-16-7-4-14)9-8-11(18-13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2
InChIKeyBJOAOSBMOBDHTE-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.41
Rot. Bonds2

About [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone

[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 3239637) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
PubChem CID3239637
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccco2)on1)N1CCOCC1
InChIInChI=1S/C12H12N2O4/c15-12(14-3-6-16-7-4-14)9-8-11(18-13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2
InChIKeyBJOAOSBMOBDHTE-UHFFFAOYSA-N
XLogP1.41
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone (CID 3239637) is [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccco2)on1)N1CCOCC1.
What is the InChIKey of [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BJOAOSBMOBDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-12(14-3-6-16-7-4-14)9-8-11(18-13-9)10-2-1-5-17-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone?
[5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 248.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3239637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).