(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

C16H15N3O4S — CID 55451437

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nnc(COC(=O)c2cccc(OCc3csc(C)n3)c2)o1
InChIInChI=1S/C16H15N3O4S/c1-10-18-19-15(23-10)8-22-16(20)12-4-3-5-14(6-12)21-7-13-9-24-11(2)17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyCSMDRYJKSJQOHX-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.08
Rot. Bonds6

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (PubChem CID 55451437) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
PubChem CID55451437
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
SMILESCc1nnc(COC(=O)c2cccc(OCc3csc(C)n3)c2)o1
InChIInChI=1S/C16H15N3O4S/c1-10-18-19-15(23-10)8-22-16(20)12-4-3-5-14(6-12)21-7-13-9-24-11(2)17-13/h3-6,9H,7-8H2,1-2H3
InChIKeyCSMDRYJKSJQOHX-UHFFFAOYSA-N
XLogP3.08
TPSA87.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate with MolForge

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Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55539579
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
[2-(3-ethylanilino)-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 39868886
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 43034541
[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46646103
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55472685
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731970
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 39868858
3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
N-(4-aminocyclohexyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119477541
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate (CID 55451437) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is Cc1nnc(COC(=O)c2cccc(OCc3csc(C)n3)c2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
The InChIKey is CSMDRYJKSJQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-10-18-19-15(23-10)8-22-16(20)12-4-3-5-14(6-12)21-7-13-9-24-11(2)17-13/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate has a molecular weight of 345.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate is sourced from PubChem (CID 55451437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).