N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide

C19H16N6O2S — CID 86906468

IUPACN-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1
InChIInChI=1S/C19H16N6O2S/c26-18(22-16-4-2-1-3-5-16)15-8-6-14(7-9-15)11-28-19-24-23-17(27-19)10-25-13-20-12-21-25/h1-9,12-13H,10-11H2,(H,22,26)
InChIKeyDFYAWHDMNPRJCN-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.25
Rot. Bonds7

About N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide

N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide (PubChem CID 86906468) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
PubChem CID86906468
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC NameN-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1
InChIInChI=1S/C19H16N6O2S/c26-18(22-16-4-2-1-3-5-16)15-8-6-14(7-9-15)11-28-19-24-23-17(27-19)10-25-13-20-12-21-25/h1-9,12-13H,10-11H2,(H,22,26)
InChIKeyDFYAWHDMNPRJCN-UHFFFAOYSA-N
XLogP3.25
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804689
N-[(1-phenylcyclopropyl)methyl]-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78842292
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(3,4-dimethylphenyl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804617
4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide
CID 46675739
N-(3,5-dimethylphenyl)-2-phenyl-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78804698
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
N-phenyl-4-(pyrimidin-2-ylsulfanylmethyl)benzamide
CID 851612
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole
CID 60602055
1-(5-methylthiophen-2-yl)-2-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 86906472

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The IUPAC name of N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide (CID 86906468) is N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide.
What is the SMILES notation for N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The canonical SMILES for N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide is O=C(Nc1ccccc1)c1ccc(CSc2nnc(Cn3cncn3)o2)cc1.
What is the InChIKey of N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
The InChIKey is DFYAWHDMNPRJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-18(22-16-4-2-1-3-5-16)15-8-6-14(7-9-15)11-28-19-24-23-17(27-19)10-25-13-20-12-21-25/h1-9,12-13H,10-11H2,(H,22,26).
What are the key properties of N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide?
N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[[5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzamide is sourced from PubChem (CID 86906468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).