(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate

C18H14FNO4 — CID 8509326

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)c(F)c1
InChIInChI=1S/C18H14FNO4/c1-22-13-7-8-14(15(19)9-13)18(21)23-11-17-20-10-16(24-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHRDRSCNAJGTWDJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.85
Rot. Bonds5

About (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate

(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate (PubChem CID 8509326) has the molecular formula C18H14FNO4 and a molecular weight of 327.31 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
PubChem CID8509326
Molecular FormulaC18H14FNO4
Molecular Weight327.31 g/mol
Exact Mass327.09
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)c(F)c1
InChIInChI=1S/C18H14FNO4/c1-22-13-7-8-14(15(19)9-13)18(21)23-11-17-20-10-16(24-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyHRDRSCNAJGTWDJ-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

4-methoxy-2-[(5-phenyl-1,3-oxazol-2-yl)methoxy]benzamide
CID 47004427
(5-phenyl-1,3-oxazol-2-yl)methyl 2,5-dimethylfuran-3-carboxylate
CID 8861226
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
(5-phenyl-1,3-oxazol-2-yl)methyl 5-(dimethylsulfamoyl)-2-fluorobenzoate
CID 7976353
(5-phenyl-1,3-oxazol-2-yl)methyl 2-methylfuran-3-carboxylate
CID 8968981
(5-phenyl-1,3-oxazol-2-yl)methyl 3,5-dichloro-4-methoxybenzoate
CID 9125999
2-[(4-methoxyphenoxy)methyl]-5-phenyl-1,3-oxazole
CID 24961512
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8509452
(5-phenyl-1,3-oxazol-2-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 18205556
(5-phenyl-1,3-oxazol-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7811686
(5-phenyl-1,3-oxazol-2-yl)methyl 3-hydroxybenzoate
CID 7790163

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate (CID 8509326) is (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)c(F)c1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate?
The InChIKey is HRDRSCNAJGTWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO4/c1-22-13-7-8-14(15(19)9-13)18(21)23-11-17-20-10-16(24-17)12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-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-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 8509326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).