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

C16H13NO3S2 — CID 8849891

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H13NO3S2/c1-21-14-6-3-2-5-12(14)16(18)19-10-11-9-13(20-17-11)15-7-4-8-22-15/h2-9H,10H2,1H3
InChIKeyCKYFJDJNRJTGCQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.48
Rot. Bonds5

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

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate (PubChem CID 8849891) has the molecular formula C16H13NO3S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate
PubChem CID8849891
Molecular FormulaC16H13NO3S2
Molecular Weight331.42 g/mol
Exact Mass331.03
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCc1cc(-c2cccs2)on1
InChIInChI=1S/C16H13NO3S2/c1-21-14-6-3-2-5-12(14)16(18)19-10-11-9-13(20-17-11)15-7-4-8-22-15/h2-9H,10H2,1H3
InChIKeyCKYFJDJNRJTGCQ-UHFFFAOYSA-N
XLogP4.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate (CID 8849891) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate is CSc1ccccc1C(=O)OCc1cc(-c2cccs2)on1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate?
The InChIKey is CKYFJDJNRJTGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S2/c1-21-14-6-3-2-5-12(14)16(18)19-10-11-9-13(20-17-11)15-7-4-8-22-15/h2-9H,10H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate has a molecular weight of 331.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-methylsulfanylbenzoate is sourced from PubChem (CID 8849891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).