ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate

C14H13NO3 — CID 45483995

IUPACethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2)on1
InChIInChI=1S/C14H13NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+
InChIKeyPRKGBPDWXFWYMR-CMDGGOBGSA-N
MW243.26 g/mol
LogP3.02
Rot. Bonds4

About ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 45483995) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
PubChem CID45483995
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Nameethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccccc2)on1
InChIInChI=1S/C14H13NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+
InChIKeyPRKGBPDWXFWYMR-CMDGGOBGSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate (CID 45483995) is ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccccc2)on1.
What is the InChIKey of ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is PRKGBPDWXFWYMR-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13NO3/c1-2-17-14(16)13-10-12(18-15-13)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+.
What are the key properties of ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-phenylethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 45483995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).