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

C20H19NO5 — CID 44819534

IUPACethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3cccc(OC)c3)c2)on1
InChIInChI=1S/C20H19NO5/c1-3-24-20(22)18-12-19(26-21-18)15-7-5-9-17(11-15)25-13-14-6-4-8-16(10-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyBRECPQUYEKONAD-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.11
Rot. Bonds7

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

ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44819534) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID44819534
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3cccc(OC)c3)c2)on1
InChIInChI=1S/C20H19NO5/c1-3-24-20(22)18-12-19(26-21-18)15-7-5-9-17(11-15)25-13-14-6-4-8-16(10-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyBRECPQUYEKONAD-UHFFFAOYSA-N
XLogP4.11
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 1090978
Methyl 5-(4-methoxyphenyl)-3-isoxazolecarboxylate
CID 752781
Methyl 5-phenyl-1,2-oxazole-3-carboxylate
CID 905953
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
Ethyl 5-(3-nitrophenyl)isoxazole-3-carboxylate
CID 4355579
1-Cyanoethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 5030119
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
2-Methylphenyl 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-carboxylate
CID 16015719

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (CID 44819534) is ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OCc3cccc(OC)c3)c2)on1.
What is the InChIKey of ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is BRECPQUYEKONAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-24-20(22)18-12-19(26-21-18)15-7-5-9-17(11-15)25-13-14-6-4-8-16(10-14)23-2/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(3-methoxyphenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).