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

C15H15NO3 — CID 58334161

IUPACethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)10-13-11-19-14(16-13)9-8-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b9-8+
InChIKeyWOXKKHQYBMGPKJ-CMDGGOBGSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds5

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

ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (PubChem CID 58334161) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
PubChem CID58334161
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1coc(/C=C/c2ccccc2)n1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)10-13-11-19-14(16-13)9-8-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b9-8+
InChIKeyWOXKKHQYBMGPKJ-CMDGGOBGSA-N
XLogP2.95
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
ethyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 15567335
ethyl 2-[4-[(E)-2-phenylethenyl]phenyl]acetate
CID 142533031
N-hydroxy-4-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]butanamide
CID 153406876
2-[(E)-2-phenylethenyl]-1,3-oxazole-4-carboxamide
CID 11117394
ethyl carbamate;stilbene
CID 175156091
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-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
CID 54126374
ethyl 2-phenylacetate
CID 7590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate (CID 58334161) is ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1coc(/C=C/c2ccccc2)n1.
What is the InChIKey of ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
The InChIKey is WOXKKHQYBMGPKJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-18-15(17)10-13-11-19-14(16-13)9-8-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3/b9-8+.
What are the key properties of ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate has a molecular weight of 257.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 58334161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).