ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate

C14H15NO3 — CID 867446

IUPACethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1ccc(CC)cc1
InChIInChI=1S/C14H15NO3/c1-3-10-5-7-11(8-6-10)13-12(9-18-15-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDZWLNHIZXPOGCQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.08
Rot. Bonds4

About ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate

ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate (PubChem CID 867446) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
PubChem CID867446
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Nameethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1ccc(CC)cc1
InChIInChI=1S/C14H15NO3/c1-3-10-5-7-11(8-6-10)13-12(9-18-15-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3
InChIKeyDZWLNHIZXPOGCQ-UHFFFAOYSA-N
XLogP3.08
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate (CID 867446) is ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1-c1ccc(CC)cc1.
What is the InChIKey of ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate?
The InChIKey is DZWLNHIZXPOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-3-10-5-7-11(8-6-10)13-12(9-18-15-13)14(16)17-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate?
ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 867446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).