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

C15H16N6O2S — CID 39528331

IUPACN-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCn1cnnc1SCc1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C15H16N6O2S/c1-21-10-17-19-15(21)24-9-14-18-12(20-23-14)7-13(22)16-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,22)
InChIKeyIPBJELXFKOEFLW-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.35
Rot. Bonds7

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

N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 39528331) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID39528331
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
SMILESCn1cnnc1SCc1nc(CC(=O)NCc2ccccc2)no1
InChIInChI=1S/C15H16N6O2S/c1-21-10-17-19-15(21)24-9-14-18-12(20-23-14)7-13(22)16-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,22)
InChIKeyIPBJELXFKOEFLW-UHFFFAOYSA-N
XLogP1.35
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2-phenylacetamide
CID 3618238
N-benzyl-2-(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 75494074
2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345060
3-[2-(benzylamino)-2-oxoethyl]-N-(3-hydroxypropyl)-1,2,4-oxadiazole-5-carboxamide
CID 45491121
N-(2-methoxyphenyl)-2-[5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 4965395
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 582245
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)methanamine
CID 62118457
N-benzyl-2-[5-(1-phenylcyclobutyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71980384
2-amino-3-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanoic acid
CID 58678279
N'-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]-2-(phenoxymethyl)benzohydrazide
CID 24513930
N-benzyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]acetamide
CID 107911441
N-benzyl-2-[5-[(1R,2R)-2-methyl-4-oxocyclohexyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 99714817

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide (CID 39528331) is N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is Cn1cnnc1SCc1nc(CC(=O)NCc2ccccc2)no1.
What is the InChIKey of N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is IPBJELXFKOEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-21-10-17-19-15(21)24-9-14-18-12(20-23-14)7-13(22)16-8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,22).
What are the key properties of N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide?
N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 39528331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).