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

C14H14FNO4 — CID 123400941

IUPACethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2ccc(OC)cc2F)c1C
InChIInChI=1S/C14H14FNO4/c1-4-19-14(17)12-8(2)13(20-16-12)10-6-5-9(18-3)7-11(10)15/h5-7H,4H2,1-3H3
InChIKeyKYXHOVJGARPNFN-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.97
Rot. Bonds4

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

ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate (PubChem CID 123400941) has the molecular formula C14H14FNO4 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
PubChem CID123400941
Molecular FormulaC14H14FNO4
Molecular Weight279.27 g/mol
Exact Mass279.09
IUPAC Nameethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2ccc(OC)cc2F)c1C
InChIInChI=1S/C14H14FNO4/c1-4-19-14(17)12-8(2)13(20-16-12)10-6-5-9(18-3)7-11(10)15/h5-7H,4H2,1-3H3
InChIKeyKYXHOVJGARPNFN-UHFFFAOYSA-N
XLogP2.97
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-fluoro-5-methoxyphenyl)-4-(3,3,3-trifluoropropoxy)-1,2-oxazole-3-carboxylate
CID 126567359
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
3-ethoxycarbonyl-2-(2-fluoro-4-methoxyphenyl)benzoic acid
CID 169449776
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 3-(2,4-difluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 67454300
5-(2-fluoro-4-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 102885745
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
CID 118514715
5-(4-chloro-2-ethoxyphenyl)-4-methyl-1,2-oxazole-3-carbonyl chloride
CID 87276958
5-(2-fluoro-4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 57396563

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate (CID 123400941) is ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(-c2ccc(OC)cc2F)c1C.
What is the InChIKey of ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is KYXHOVJGARPNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO4/c1-4-19-14(17)12-8(2)13(20-16-12)10-6-5-9(18-3)7-11(10)15/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate?
ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 279.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoro-4-methoxyphenyl)-4-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 123400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).