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

C11H16N6O3S — CID 3479531

IUPACN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2n[nH]c(C(C)C)n2)o1
InChIInChI=1S/C11H16N6O3S/c1-6(2)9-13-11(17-15-9)21-5-7(18)12-10-16-14-8(20-10)4-19-3/h6H,4-5H2,1-3H3,(H,12,16,18)(H,13,15,17)
InChIKeyDOQIHRFFFJUQCJ-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.19
Rot. Bonds7

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

N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 3479531) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID3479531
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCOCc1nnc(NC(=O)CSc2n[nH]c(C(C)C)n2)o1
InChIInChI=1S/C11H16N6O3S/c1-6(2)9-13-11(17-15-9)21-5-7(18)12-10-16-14-8(20-10)4-19-3/h6H,4-5H2,1-3H3,(H,12,16,18)(H,13,15,17)
InChIKeyDOQIHRFFFJUQCJ-UHFFFAOYSA-N
XLogP1.19
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3668530
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3386523
N-(4-fluorophenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4050698
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3671552
N-(5-tert-butyl-2-methoxyphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17403355
N-(tert-butylcarbamoyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2090862
2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3,6-tribromo-4-methoxyphenyl)acetamide
CID 5010107
propan-2-yl 4-[[2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
CID 35798457
N-cyclopentyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4244565
2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 17392167
N-(3-chloro-2-methylphenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 29317070

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of 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) is N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is COCc1nnc(NC(=O)CSc2n[nH]c(C(C)C)n2)o1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is DOQIHRFFFJUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-6(2)9-13-11(17-15-9)21-5-7(18)12-10-16-14-8(20-10)4-19-3/h6H,4-5H2,1-3H3,(H,12,16,18)(H,13,15,17).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 3479531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).