[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate

C18H14FNO4 — CID 16869669

IUPAC[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H14FNO4/c1-22-16-4-2-3-13(9-16)18(21)23-11-15-10-17(24-20-15)12-5-7-14(19)8-6-12/h2-10H,11H2,1H3
InChIKeyCFDJIAVHDXQDFO-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.85
Rot. Bonds5

About [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate

[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate (PubChem CID 16869669) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
PubChem CID16869669
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c1
InChIInChI=1S/C18H14FNO4/c1-22-16-4-2-3-13(9-16)18(21)23-11-15-10-17(24-20-15)12-5-7-14(19)8-6-12/h2-10H,11H2,1H3
InChIKeyCFDJIAVHDXQDFO-UHFFFAOYSA-N
XLogP3.85
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)methyl 3-methoxybenzoate
CID 9019208
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-3-methoxybenzamide
CID 16866858
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-dimethoxybenzoate
CID 16869806
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 4-chlorobenzoate
CID 16869687
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 3-chlorobenzoate
CID 16869565
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-fluorobenzoate
CID 7789627
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869448
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-methylbenzoate
CID 16869792
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl 3,5-dimethylbenzoate
CID 16869420

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate?
The IUPAC name of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate (CID 16869669) is [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate.
What is the SMILES notation for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate?
The canonical SMILES for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate is COc1cccc(C(=O)OCc2cc(-c3ccc(F)cc3)on2)c1.
What is the InChIKey of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate?
The InChIKey is CFDJIAVHDXQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-22-16-4-2-3-13(9-16)18(21)23-11-15-10-17(24-20-15)12-5-7-14(19)8-6-12/h2-10H,11H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate?
[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate has a molecular weight of 327.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl 3-methoxybenzoate is sourced from PubChem (CID 16869669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).