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

C15H16N6O2S — CID 7352432

IUPACN-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H16N6O2S/c1-10(2)21-9-16-20-15(21)24-8-12(22)17-14-19-18-13(23-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,22)
InChIKeyRPMDVSCGZQMMIE-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.64
Rot. Bonds6

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

N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 7352432) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID7352432
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC NameN-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H16N6O2S/c1-10(2)21-9-16-20-15(21)24-8-12(22)17-14-19-18-13(23-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,22)
InChIKeyRPMDVSCGZQMMIE-UHFFFAOYSA-N
XLogP2.64
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675740
N-(4-butan-2-ylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78556413
2-[[4-benzyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 2550726
2-[2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 8601354
1-(4-phenylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4819261
N-dibenzofuran-2-yl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8569408
N-(3,3-diphenylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7352411
N-(4-iodophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819087
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (3S)-3-phenylbutanoate
CID 7227751
N-(3-methylphenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7675745
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 4042963
N-[(1S)-1-phenylethyl]-2-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 7352452

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 7352432) is N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is RPMDVSCGZQMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c1-10(2)21-9-16-20-15(21)24-8-12(22)17-14-19-18-13(23-14)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,17,19,22).
What are the key properties of N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7352432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).