[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate

C14H13NO3 — CID 102529485

IUPAC[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+
InChIKeyCDBQHZRUIOIYSC-BQYQJAHWSA-N
MW243.26 g/mol
LogP2.91
Rot. Bonds4

About [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate

[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate (PubChem CID 102529485) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
PubChem CID102529485
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
SMILESCC(=O)OCc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H13NO3/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+
InChIKeyCDBQHZRUIOIYSC-BQYQJAHWSA-N
XLogP2.91
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
[2-[(E)-2-phenylethenyl]-1,3-thiazol-4-yl]methyl acetate
CID 102529489
[2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]methyl acetate
CID 46201506
N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
CID 153406876
2-[(E)-2-phenylethenyl]-4-[(4-propylphenoxy)methyl]-1,3-oxazole
CID 173184404
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxamide
CID 11117394
ethyl acetate;stilbene
CID 159556390
ethane;3-ethylphenol;4-ethyl-2-(2-phenylethenyl)-1,3-oxazole;methane
CID 158075817
[2-ethyl-5-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl] methanesulfonate
CID 142642853
2-[(E)-2-phenylethenyl]-4-[[4-[4-(triazol-2-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 22009756
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate?
The IUPAC name of [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate (CID 102529485) is [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate.
What is the SMILES notation for [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate?
The canonical SMILES for [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate is CC(=O)OCc1coc(/C=C/c2ccccc2)n1.
What is the InChIKey of [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate?
The InChIKey is CDBQHZRUIOIYSC-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13NO3/c1-11(16)17-9-13-10-18-14(15-13)8-7-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3/b8-7+.
What are the key properties of [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate?
[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate has a molecular weight of 243.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate is sourced from PubChem (CID 102529485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).