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

C9H12N6O3S — CID 3671552

IUPACN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2nncn2C)o1
InChIInChI=1S/C9H12N6O3S/c1-15-5-10-14-9(15)19-4-6(16)11-8-13-12-7(18-8)3-17-2/h5H,3-4H2,1-2H3,(H,11,13,16)
InChIKeyPYOQVTGVOQXGFS-UHFFFAOYSA-N
MW284.30 g/mol
LogP0.08
Rot. Bonds6

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

N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3671552) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3671552
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2nncn2C)o1
InChIInChI=1S/C9H12N6O3S/c1-15-5-10-14-9(15)19-4-6(16)11-8-13-12-7(18-8)3-17-2/h5H,3-4H2,1-2H3,(H,11,13,16)
InChIKeyPYOQVTGVOQXGFS-UHFFFAOYSA-N
XLogP0.08
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 4113951
N-(3,4-dimethoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 705246
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3479531
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1250957
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3668530
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27548922
N-(2-benzoylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2521602
3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 2385860
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
N-(2-tert-butylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2521369
N-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2385810
methyl 4-methyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 3161322

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 3671552) is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is COCc1nnc(NC(=O)CSc2nncn2C)o1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is PYOQVTGVOQXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-15-5-10-14-9(15)19-4-6(16)11-8-13-12-7(18-8)3-17-2/h5H,3-4H2,1-2H3,(H,11,13,16).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 284.30 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3671552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).