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

C11H14N4O3S — CID 70734984

IUPACN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOCc1nc(CNC(=O)Cc2csc(C)n2)no1
InChIInChI=1S/C11H14N4O3S/c1-7-13-8(6-19-7)3-10(16)12-4-9-14-11(5-17-2)18-15-9/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyYXLXLQBVNNLYBH-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.84
Rot. Bonds6

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

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 70734984) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID70734984
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC NameN-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCOCc1nc(CNC(=O)Cc2csc(C)n2)no1
InChIInChI=1S/C11H14N4O3S/c1-7-13-8(6-19-7)3-10(16)12-4-9-14-11(5-17-2)18-15-9/h6H,3-5H2,1-2H3,(H,12,16)
InChIKeyYXLXLQBVNNLYBH-UHFFFAOYSA-N
XLogP0.84
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 70734984) is N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is COCc1nc(CNC(=O)Cc2csc(C)n2)no1.
What is the InChIKey of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YXLXLQBVNNLYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-7-13-8(6-19-7)3-10(16)12-4-9-14-11(5-17-2)18-15-9/h6H,3-5H2,1-2H3,(H,12,16).
What are the key properties of N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 282.32 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 70734984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).