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

C15H10FNO3S — CID 16870177

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cccc(F)c1
InChIInChI=1S/C15H10FNO3S/c16-11-4-1-3-10(7-11)15(18)19-9-12-8-13(20-17-12)14-5-2-6-21-14/h1-8H,9H2
InChIKeyYPLAEEVIVVQHPH-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.90
Rot. Bonds4

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate (PubChem CID 16870177) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
PubChem CID16870177
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1cccc(F)c1
InChIInChI=1S/C15H10FNO3S/c16-11-4-1-3-10(7-11)15(18)19-9-12-8-13(20-17-12)14-5-2-6-21-14/h1-8H,9H2
InChIKeyYPLAEEVIVVQHPH-UHFFFAOYSA-N
XLogP3.90
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
CID 8648321
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate
CID 30767092
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-propan-2-yloxybenzoate
CID 8751669
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 8648962
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2,4-difluorobenzoyl)amino]acetate
CID 35428552
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-bromo-3-nitrobenzoate
CID 26780410
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-oxo-4-phenylbutanoate
CID 26530325
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8651891
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2,4-dimethylbenzoate
CID 8650258
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 16870213
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-hydroxy-4-methylbenzoate
CID 8845331

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate (CID 16870177) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate is O=C(OCc1cc(-c2cccs2)on1)c1cccc(F)c1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate?
The InChIKey is YPLAEEVIVVQHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c16-11-4-1-3-10(7-11)15(18)19-9-12-8-13(20-17-12)14-5-2-6-21-14/h1-8H,9H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate has a molecular weight of 303.31 g/mol, XLogP of 3.90, 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 3-fluorobenzoate is sourced from PubChem (CID 16870177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).