ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate

C20H19NO4 — CID 45485301

IUPACethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(C(C)Oc3ccccc3)c2)on1
InChIInChI=1S/C20H19NO4/c1-3-23-20(22)18-13-19(25-21-18)16-9-7-8-15(12-16)14(2)24-17-10-5-4-6-11-17/h4-14H,3H2,1-2H3
InChIKeyMWEFZWAQASBHLG-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.66
Rot. Bonds6

About ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 45485301) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate
PubChem CID45485301
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(C(C)Oc3ccccc3)c2)on1
InChIInChI=1S/C20H19NO4/c1-3-23-20(22)18-13-19(25-21-18)16-9-7-8-15(12-16)14(2)24-17-10-5-4-6-11-17/h4-14H,3H2,1-2H3
InChIKeyMWEFZWAQASBHLG-UHFFFAOYSA-N
XLogP4.66
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
CID 449162
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
Oxfbd03
CID 71624782
5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid
CID 447994
5-(3-Methoxyphenyl)isoxazole-3-carboxylic acid
CID 1090979
5-(3,4-Dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090980
Methyl 5-(3,4-dimethoxyphenyl)isoxazole-3-carboxylate
CID 645390
Methyl 5-(3-methoxyphenyl)isoxazole-3-carboxylate
CID 650706
3-Methylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
CID 16015717

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate (CID 45485301) is ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(C(C)Oc3ccccc3)c2)on1.
What is the InChIKey of ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is MWEFZWAQASBHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-23-20(22)18-13-19(25-21-18)16-9-7-8-15(12-16)14(2)24-17-10-5-4-6-11-17/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(1-phenoxyethyl)phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 45485301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).