ethyl 3-phenyl-1,2-oxazole-4-carboxylate

C12H11NO3 — CID 871048

IUPACethyl 3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-13-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyONYVEPHLOUEYQX-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.52
Rot. Bonds3

About ethyl 3-phenyl-1,2-oxazole-4-carboxylate

ethyl 3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 871048) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID871048
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Nameethyl 3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1conc1-c1ccccc1
InChIInChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-13-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyONYVEPHLOUEYQX-UHFFFAOYSA-N
XLogP2.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-ethylphenyl)-1,2-oxazole-4-carboxylate
CID 867446
ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 23465079
ethyl 3-(3-cyanophenyl)-1,2-oxazole-4-carboxylate
CID 23465061
ethyl 3-phenyl-5-(3-phenyl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094776
ethyl 3-[(R)-hydroxy(phenyl)methyl]-1,2-oxazole-4-carboxylate
CID 125265673
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
N-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 100771540
ethyl 3-phenyl-5-(3-pyridin-2-yl-1,2-oxazol-4-yl)-1,2-oxazole-4-carboxylate
CID 139094775

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-phenyl-1,2-oxazole-4-carboxylate (CID 871048) is ethyl 3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-phenyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1conc1-c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is ONYVEPHLOUEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-16-13-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 3-phenyl-1,2-oxazole-4-carboxylate?
ethyl 3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 871048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).