ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate

C19H19NO3 — CID 102407619

IUPACethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)15-9-7-14(8-10-15)16-6-4-5-13(2)17(16)18-20-11-12-23-18/h4-10H,3,11-12H2,1-2H3
InChIKeyNGPWMEDFMZCLIG-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.62
Rot. Bonds4

About ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate

ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate (PubChem CID 102407619) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
PubChem CID102407619
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nameethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1
InChIInChI=1S/C19H19NO3/c1-3-22-19(21)15-9-7-14(8-10-15)16-6-4-5-13(2)17(16)18-20-11-12-23-18/h4-10H,3,11-12H2,1-2H3
InChIKeyNGPWMEDFMZCLIG-UHFFFAOYSA-N
XLogP3.62
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The IUPAC name of ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate (CID 102407619) is ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The canonical SMILES for ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate is CCOC(=O)c1ccc(-c2cccc(C)c2C2=NCCO2)cc1.
What is the InChIKey of ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
The InChIKey is NGPWMEDFMZCLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-3-22-19(21)15-9-7-14(8-10-15)16-6-4-5-13(2)17(16)18-20-11-12-23-18/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate?
ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate has a molecular weight of 309.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate is sourced from PubChem (CID 102407619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).