4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole

C13H15NO — CID 6311587

IUPAC4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+
InChIKeyIVCSIAZWAKWKDI-CMDGGOBGSA-N
MW201.27 g/mol
LogP2.91
Rot. Bonds2

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

4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole (PubChem CID 6311587) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
PubChem CID6311587
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole
SMILESCC1(C)COC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+
InChIKeyIVCSIAZWAKWKDI-CMDGGOBGSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole (CID 6311587) is 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole is CC1(C)COC(/C=C/c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole?
The InChIKey is IVCSIAZWAKWKDI-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2)10-15-12(14-13)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+.
What are the key properties of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5H-1,3-oxazole is sourced from PubChem (CID 6311587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).