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

C14H12N2O3S2 — CID 40767085

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCc1cc(COC(=O)Cc2csc(-c3ccsc3)n2)on1
InChIInChI=1S/C14H12N2O3S2/c1-9-4-12(19-16-9)6-18-13(17)5-11-8-21-14(15-11)10-2-3-20-7-10/h2-4,7-8H,5-6H2,1H3
InChIKeyRAJCWKUROAOJOC-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.45
Rot. Bonds5

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

(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 40767085) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID40767085
Molecular FormulaC14H12N2O3S2
Molecular Weight320.39 g/mol
Exact Mass320.03
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCc1cc(COC(=O)Cc2csc(-c3ccsc3)n2)on1
InChIInChI=1S/C14H12N2O3S2/c1-9-4-12(19-16-9)6-18-13(17)5-11-8-21-14(15-11)10-2-3-20-7-10/h2-4,7-8H,5-6H2,1H3
InChIKeyRAJCWKUROAOJOC-UHFFFAOYSA-N
XLogP3.45
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 43040371
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55476823
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
[2-(1-adamantyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129451
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetate
CID 55665345
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8850024
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 55449941
(2-nitrophenyl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129682
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130865
[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130290
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129993

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (CID 40767085) is (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is Cc1cc(COC(=O)Cc2csc(-c3ccsc3)n2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is RAJCWKUROAOJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-9-4-12(19-16-9)6-18-13(17)5-11-8-21-14(15-11)10-2-3-20-7-10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
(3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 320.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 40767085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).