(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate

C15H9ClFNO3S — CID 8624880

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H9ClFNO3S/c16-9-3-4-12(17)11(6-9)15(19)20-8-10-7-13(21-18-10)14-2-1-5-22-14/h1-7H,8H2
InChIKeyHASSMHFKTOZZII-UHFFFAOYSA-N
MW337.76 g/mol
LogP4.55
Rot. Bonds4

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate (PubChem CID 8624880) has the molecular formula C15H9ClFNO3S and a molecular weight of 337.76 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate
PubChem CID8624880
Molecular FormulaC15H9ClFNO3S
Molecular Weight337.76 g/mol
Exact Mass337.00
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cc(Cl)ccc1F
InChIInChI=1S/C15H9ClFNO3S/c16-9-3-4-12(17)11(6-9)15(19)20-8-10-7-13(21-18-10)14-2-1-5-22-14/h1-7H,8H2
InChIKeyHASSMHFKTOZZII-UHFFFAOYSA-N
XLogP4.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
[5-(2-Thienyl)-3-isoxazolyl]methyl 2-chloro-6-fluorobenzoate
CID 8647675
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2,6-difluorobenzoate
CID 8649760
[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methyl 3-fluorobenzoate
CID 16870177
(5-(2-Fluorophenyl)isoxazol-3-yl)methyl thiophene-2-carboxylate
CID 27370212
(5-(2,4-Difluorophenyl)isoxazol-3-yl)methyl 2-(thiophen-2-yl)acetate
CID 27555356
(5-(2,4-Difluorophenyl)isoxazol-3-yl)methyl 2-(methylthio)benzoate
CID 45512477
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(4-chlorophenoxy)acetate
CID 8650138
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 8849121
(5-(Thiophen-2-yl)isoxazol-3-yl)methyl 2-(methylthio)benzoate
CID 8849891
[5-(4-Methylphenyl)-1,2-oxazol-3-yl]methyl thiophene-2-carboxylate
CID 16869511
[5-(p-Chlorophenyl)-3-isoxazolyl]methyl (2-thienyl)acetate
CID 16869618

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate (CID 8624880) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate is O=C(OCc1cc(-c2cccs2)on1)c1cc(Cl)ccc1F.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate?
The InChIKey is HASSMHFKTOZZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3S/c16-9-3-4-12(17)11(6-9)15(19)20-8-10-7-13(21-18-10)14-2-1-5-22-14/h1-7H,8H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate has a molecular weight of 337.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 5-chloro-2-fluorobenzoate is sourced from PubChem (CID 8624880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).