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

C15H11NO3S — CID 8648321

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-15(11-5-2-1-3-6-11)18-10-12-9-13(19-16-12)14-7-4-8-20-14/h1-9H,10H2
InChIKeyGNZFOXMIBDWQBB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.76
Rot. Bonds4

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate (PubChem CID 8648321) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
PubChem CID8648321
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate
SMILESO=C(OCc1cc(-c2cccs2)on1)c1ccccc1
InChIInChI=1S/C15H11NO3S/c17-15(11-5-2-1-3-6-11)18-10-12-9-13(19-16-12)14-7-4-8-20-14/h1-9H,10H2
InChIKeyGNZFOXMIBDWQBB-UHFFFAOYSA-N
XLogP3.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-fluorobenzoate
CID 16870177
(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-oxo-4-phenylbutanoate
CID 26530325
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 3-acetamidobenzoate
CID 8741850
(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 3-(ethylsulfamoyl)benzoate
CID 30767092
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(cyanomethylsulfonylmethyl)benzoate
CID 8975196
(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 3-benzamido-3-phenylpropanoate
CID 55404439
(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 2-hydroxy-4-methylbenzoate
CID 8845331
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(2-amino-2-oxoethyl)sulfanylbenzoate
CID 36985620

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate (CID 8648321) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate is O=C(OCc1cc(-c2cccs2)on1)c1ccccc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate?
The InChIKey is GNZFOXMIBDWQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-15(11-5-2-1-3-6-11)18-10-12-9-13(19-16-12)14-7-4-8-20-14/h1-9H,10H2.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl benzoate has a molecular weight of 285.32 g/mol, XLogP of 3.76, 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 benzoate is sourced from PubChem (CID 8648321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).