5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one

C15H16N4O3S — CID 75436028

IUPAC5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2csc(Nc3ccccc3C)n2)c(=O)o1
InChIInChI=1S/C15H16N4O3S/c1-10-5-3-4-6-12(10)17-14-16-11(9-23-14)7-19-15(20)22-13(18-19)8-21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyTUUWNWXWRYTDAA-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.54
Rot. Bonds6

About 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one

5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 75436028) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID75436028
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCOCc1nn(Cc2csc(Nc3ccccc3C)n2)c(=O)o1
InChIInChI=1S/C15H16N4O3S/c1-10-5-3-4-6-12(10)17-14-16-11(9-23-14)7-19-15(20)22-13(18-19)8-21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17)
InChIKeyTUUWNWXWRYTDAA-UHFFFAOYSA-N
XLogP2.54
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one (CID 75436028) is 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one is COCc1nn(Cc2csc(Nc3ccccc3C)n2)c(=O)o1.
What is the InChIKey of 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is TUUWNWXWRYTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-10-5-3-4-6-12(10)17-14-16-11(9-23-14)7-19-15(20)22-13(18-19)8-21-2/h3-6,9H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one?
5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 332.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 75436028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).