ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate

C13H12FNO4 — CID 142693900

IUPACethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C13H12FNO4/c1-3-18-13(16)10-7-19-12(15-10)9-6-8(14)4-5-11(9)17-2/h4-7H,3H2,1-2H3
InChIKeyLHYDCXXAWRRXOT-UHFFFAOYSA-N
MW265.24 g/mol
LogP2.67
Rot. Bonds4

About ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 142693900) has the molecular formula C13H12FNO4 and a molecular weight of 265.24 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID142693900
Molecular FormulaC13H12FNO4
Molecular Weight265.24 g/mol
Exact Mass265.08
IUPAC Nameethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2cc(F)ccc2OC)n1
InChIInChI=1S/C13H12FNO4/c1-3-18-13(16)10-7-19-12(15-10)9-6-8(14)4-5-11(9)17-2/h4-7H,3H2,1-2H3
InChIKeyLHYDCXXAWRRXOT-UHFFFAOYSA-N
XLogP2.67
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(diaminomethylidene)-2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 25103537
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
2-(5-fluoro-2-methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 63048806
ethyl 2-(2,5-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
CID 113377396
2-(2,4,5-trimethoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62234680
ethyl 2-[2-(carbamothioylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 169358237
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
benzyl 2-[4-(2-methoxyphenyl)phenyl]-1,3-oxazole-4-carboxylate
CID 46210451
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 142693900) is ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2cc(F)ccc2OC)n1.
What is the InChIKey of ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is LHYDCXXAWRRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO4/c1-3-18-13(16)10-7-19-12(15-10)9-6-8(14)4-5-11(9)17-2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 265.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 142693900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).