methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate

C14H13NO5 — CID 86222844

IUPACmethyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)OC)no2)cc1
InChIInChI=1S/C14H13NO5/c1-3-19-13(16)10-6-4-9(5-7-10)12-8-11(15-20-12)14(17)18-2/h4-8H,3H2,1-2H3
InChIKeyRYGXJVLPSHCCCN-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.30
Rot. Bonds4

About methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate

methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate (PubChem CID 86222844) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
PubChem CID86222844
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Namemethyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)OC)no2)cc1
InChIInChI=1S/C14H13NO5/c1-3-19-13(16)10-6-4-9(5-7-10)12-8-11(15-20-12)14(17)18-2/h4-8H,3H2,1-2H3
InChIKeyRYGXJVLPSHCCCN-UHFFFAOYSA-N
XLogP2.30
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
methyl 5-(4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylate
CID 82627852
ethyl 4-[[2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 16878494
methyl 5-(3,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 154791625
methyl 4-acetylbenzoate;methyl 4-(3-methyl-1,2-oxazol-5-yl)benzoate
CID 159441639
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
CID 108812805
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
CID 168876067
ethyl 4-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]benzoate
CID 17013196

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate (CID 86222844) is methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1ccc(-c2cc(C(=O)OC)no2)cc1.
What is the InChIKey of methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is RYGXJVLPSHCCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-3-19-13(16)10-6-4-9(5-7-10)12-8-11(15-20-12)14(17)18-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate?
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 275.26 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 86222844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).