[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

C15H14N4O4S — CID 47013956

IUPAC[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOc1ccccc1-c1noc(COC(=O)c2c(C)nsc2N)n1
InChIInChI=1S/C15H14N4O4S/c1-8-12(13(16)24-19-8)15(20)22-7-11-17-14(18-23-11)9-5-3-4-6-10(9)21-2/h3-6H,7,16H2,1-2H3
InChIKeyBAASLYUHIYUZSC-UHFFFAOYSA-N
MW346.37 g/mol
LogP2.45
Rot. Bonds5

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 47013956) has the molecular formula C15H14N4O4S and a molecular weight of 346.37 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID47013956
Molecular FormulaC15H14N4O4S
Molecular Weight346.37 g/mol
Exact Mass346.07
IUPAC Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate
SMILESCOc1ccccc1-c1noc(COC(=O)c2c(C)nsc2N)n1
InChIInChI=1S/C15H14N4O4S/c1-8-12(13(16)24-19-8)15(20)22-7-11-17-14(18-23-11)9-5-3-4-6-10(9)21-2/h3-6H,7,16H2,1-2H3
InChIKeyBAASLYUHIYUZSC-UHFFFAOYSA-N
XLogP2.45
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate (CID 47013956) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is COc1ccccc1-c1noc(COC(=O)c2c(C)nsc2N)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is BAASLYUHIYUZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4S/c1-8-12(13(16)24-19-8)15(20)22-7-11-17-14(18-23-11)9-5-3-4-6-10(9)21-2/h3-6H,7,16H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate?
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 346.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-amino-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 47013956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).