2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

C11H13NO2 — CID 6445995

IUPAC2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(/C=C/c2ccco2)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)8-14-10(12-11)6-5-9-4-3-7-13-9/h3-7H,8H2,1-2H3/b6-5+
InChIKeyZXXGKMMADOPDSR-AATRIKPKSA-N
MW191.23 g/mol
LogP2.50
Rot. Bonds2

About 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 6445995) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID6445995
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(/C=C/c2ccco2)=N1
InChIInChI=1S/C11H13NO2/c1-11(2)8-14-10(12-11)6-5-9-4-3-7-13-9/h3-7H,8H2,1-2H3/b6-5+
InChIKeyZXXGKMMADOPDSR-AATRIKPKSA-N
XLogP2.50
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 6445995) is 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(/C=C/c2ccco2)=N1.
What is the InChIKey of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is ZXXGKMMADOPDSR-AATRIKPKSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(2)8-14-10(12-11)6-5-9-4-3-7-13-9/h3-7H,8H2,1-2H3/b6-5+.
What are the key properties of 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 191.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(furan-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 6445995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).