(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate

C17H15NO3S — CID 8972367

IUPAC(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)9-17(19)20-11-14-10-15(21-18-14)16-3-2-8-22-16/h2-8,10H,9,11H2,1H3
InChIKeyMADAVSQPPYKARQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.00
Rot. Bonds5

About (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate (PubChem CID 8972367) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
PubChem CID8972367
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate
SMILESCc1ccc(CC(=O)OCc2cc(-c3cccs3)on2)cc1
InChIInChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)9-17(19)20-11-14-10-15(21-18-14)16-3-2-8-22-16/h2-8,10H,9,11H2,1H3
InChIKeyMADAVSQPPYKARQ-UHFFFAOYSA-N
XLogP4.00
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 8649683
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 8749615
(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 2-(1,2-benzoxazol-3-yl)acetate
CID 8985279
(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 4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoate
CID 35463053
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 8743810
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(3-methyl-4-oxophthalazin-1-yl)acetate
CID 8945124
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonylamino)acetate
CID 8749702
(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 benzoate
CID 8648321

Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate?
The IUPAC name of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate (CID 8972367) is (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate.
What is the SMILES notation for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate?
The canonical SMILES for (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate is Cc1ccc(CC(=O)OCc2cc(-c3cccs3)on2)cc1.
What is the InChIKey of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate?
The InChIKey is MADAVSQPPYKARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-12-4-6-13(7-5-12)9-17(19)20-11-14-10-15(21-18-14)16-3-2-8-22-16/h2-8,10H,9,11H2,1H3.
What are the key properties of (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate?
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-(4-methylphenyl)acetate has a molecular weight of 313.38 g/mol, XLogP of 4.00, 5 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 2-(4-methylphenyl)acetate is sourced from PubChem (CID 8972367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).