ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

C19H15F2NO4 — CID 44819887

IUPACethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3F)c2)on1
InChIInChI=1S/C19H15F2NO4/c1-2-24-19(23)17-10-18(26-22-17)12-4-3-5-15(8-12)25-11-13-6-7-14(20)9-16(13)21/h3-10H,2,11H2,1H3
InChIKeyUIQXDFZGOPJMNP-UHFFFAOYSA-N
MW359.33 g/mol
LogP4.38
Rot. Bonds6

About ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44819887) has the molecular formula C19H15F2NO4 and a molecular weight of 359.33 g/mol. Its IUPAC name is ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
PubChem CID44819887
Molecular FormulaC19H15F2NO4
Molecular Weight359.33 g/mol
Exact Mass359.10
IUPAC Nameethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3F)c2)on1
InChIInChI=1S/C19H15F2NO4/c1-2-24-19(23)17-10-18(26-22-17)12-4-3-5-15(8-12)25-11-13-6-7-14(20)9-16(13)21/h3-10H,2,11H2,1H3
InChIKeyUIQXDFZGOPJMNP-UHFFFAOYSA-N
XLogP4.38
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 54.38
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
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-[(4-Fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480817
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-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate (CID 44819887) is ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OCc3ccc(F)cc3F)c2)on1.
What is the InChIKey of ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is UIQXDFZGOPJMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO4/c1-2-24-19(23)17-10-18(26-22-17)12-4-3-5-15(8-12)25-11-13-6-7-14(20)9-16(13)21/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 359.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2,4-difluorophenyl)methoxy]phenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44819887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).