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

C16H16FNO5 — CID 7561911

IUPAC[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16FNO5/c1-4-12-15(9(2)23-18-12)16(20)22-8-13(19)10-5-6-14(21-3)11(17)7-10/h5-7H,4,8H2,1-3H3
InChIKeyCJLHHUWDJZOOIZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP2.73
Rot. Bonds6

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

[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7561911) has the molecular formula C16H16FNO5 and a molecular weight of 321.30 g/mol. Its IUPAC name is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7561911
Molecular FormulaC16H16FNO5
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H16FNO5/c1-4-12-15(9(2)23-18-12)16(20)22-8-13(19)10-5-6-14(21-3)11(17)7-10/h5-7H,4,8H2,1-3H3
InChIKeyCJLHHUWDJZOOIZ-UHFFFAOYSA-N
XLogP2.73
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660613
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790436
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132967
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-iodobenzoate
CID 31981645
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 18193422
[2-(3,4-difluoroanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660575
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-methoxynaphthalene-2-carboxylate
CID 7679231
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7491072
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8588920
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 17409724

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7561911) is [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is CJLHHUWDJZOOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5/c1-4-12-15(9(2)23-18-12)16(20)22-8-13(19)10-5-6-14(21-3)11(17)7-10/h5-7H,4,8H2,1-3H3.
What are the key properties of [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 321.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7561911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).