methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate

C17H12FNO3 — CID 58119372

IUPACmethyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H12FNO3/c1-21-17(20)13-4-2-11(3-5-13)15-10-22-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyUXTUVIJAQMNHPQ-UHFFFAOYSA-N
MW297.29 g/mol
LogP3.93
Rot. Bonds3

About methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate

methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate (PubChem CID 58119372) has the molecular formula C17H12FNO3 and a molecular weight of 297.29 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
PubChem CID58119372
Molecular FormulaC17H12FNO3
Molecular Weight297.29 g/mol
Exact Mass297.08
IUPAC Namemethyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate
SMILESCOC(=O)c1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C17H12FNO3/c1-21-17(20)13-4-2-11(3-5-13)15-10-22-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3
InChIKeyUXTUVIJAQMNHPQ-UHFFFAOYSA-N
XLogP3.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(4-fluorophenyl)-1,3-oxazole
CID 21176471
methyl 2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylate
CID 58119370
2-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-oxazole
CID 102468704
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548
methyl 4-[4-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]benzoate
CID 18613894
CID 170307924
CID 170307924
sodium;hydride;methyl 4-fluorobenzoate
CID 174143193
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
2-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-5-yl)-1,3-oxazole
CID 90223933
2-(4-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835518
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate (CID 58119372) is methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate is COC(=O)c1ccc(-c2coc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate?
The InChIKey is UXTUVIJAQMNHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO3/c1-21-17(20)13-4-2-11(3-5-13)15-10-22-16(19-15)12-6-8-14(18)9-7-12/h2-10H,1H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate?
methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate has a molecular weight of 297.29 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]benzoate is sourced from PubChem (CID 58119372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).