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

C19H16N4O3S — CID 2975817

IUPACN-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-15-8-6-13(7-9-15)10-18-22-23-19(26-18)27-12-17(24)21-16-5-3-2-4-14(16)11-20/h2-9H,10,12H2,1H3,(H,21,24)
InChIKeyPZHCWLUGSVSOBA-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.27
Rot. Bonds7

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

N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2975817) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2975817
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-15-8-6-13(7-9-15)10-18-22-23-19(26-18)27-12-17(24)21-16-5-3-2-4-14(16)11-20/h2-9H,10,12H2,1H3,(H,21,24)
InChIKeyPZHCWLUGSVSOBA-UHFFFAOYSA-N
XLogP3.27
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2975817) is N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PZHCWLUGSVSOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-15-8-6-13(7-9-15)10-18-22-23-19(26-18)27-12-17(24)21-16-5-3-2-4-14(16)11-20/h2-9H,10,12H2,1H3,(H,21,24).
What are the key properties of N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 380.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2975817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).