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

C17H11BrFNO3 — CID 32654742

IUPAC[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(Br)c1
InChIInChI=1S/C17H11BrFNO3/c18-13-3-1-2-12(8-13)17(21)23-10-15-9-22-16(20-15)11-4-6-14(19)7-5-11/h1-9H,10H2
InChIKeyVHTWQOQNBYKMHZ-UHFFFAOYSA-N
MW376.18 g/mol
LogP4.60
Rot. Bonds4

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

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate (PubChem CID 32654742) has the molecular formula C17H11BrFNO3 and a molecular weight of 376.18 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
PubChem CID32654742
Molecular FormulaC17H11BrFNO3
Molecular Weight376.18 g/mol
Exact Mass374.99
IUPAC Name[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate
SMILESO=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(Br)c1
InChIInChI=1S/C17H11BrFNO3/c18-13-3-1-2-12(8-13)17(21)23-10-15-9-22-16(20-15)11-4-6-14(19)7-5-11/h1-9H,10H2
InChIKeyVHTWQOQNBYKMHZ-UHFFFAOYSA-N
XLogP4.60
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-iodobenzoate
CID 32646400
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 4-(trifluoromethyl)benzoate
CID 32644596
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(benzylsulfamoyl)benzoate
CID 55543565
(2-phenyl-1,3-oxazol-4-yl)methyl 3-(propylsulfonylamino)benzoate
CID 55553535
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 2,2-diphenylacetate
CID 32688963
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 16605196
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 55543502
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-bromobenzoate
CID 2642860
(2-phenyl-1,3-oxazol-4-yl)methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16505934
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate (CID 32654742) is [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate is O=C(OCc1coc(-c2ccc(F)cc2)n1)c1cccc(Br)c1.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate?
The InChIKey is VHTWQOQNBYKMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFNO3/c18-13-3-1-2-12(8-13)17(21)23-10-15-9-22-16(20-15)11-4-6-14(19)7-5-11/h1-9H,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate?
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate has a molecular weight of 376.18 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-bromobenzoate is sourced from PubChem (CID 32654742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).