N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C21H16N4O2S — CID 78762625

IUPACN-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c26-19(14-28-21-25-24-20(27-21)16-10-12-22-13-11-16)23-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)
InChIKeyNMUNQYBQEUWGJC-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.53
Rot. Bonds6

About N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 78762625) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID78762625
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC NameN-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H16N4O2S/c26-19(14-28-21-25-24-20(27-21)16-10-12-22-13-11-16)23-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26)
InChIKeyNMUNQYBQEUWGJC-UHFFFAOYSA-N
XLogP4.53
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2443236
N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
N-(2,4-difluorophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4281733
2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylphenyl)acetamide
CID 134010615
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5125197
N-(2,3,4,5,6-pentabromophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4118714
N-(2-cyanophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7559268
N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78762420
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
N-[2-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 1143033
2-[[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzamide
CID 51140659

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 78762625) is N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NMUNQYBQEUWGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-19(14-28-21-25-24-20(27-21)16-10-12-22-13-11-16)23-18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-13H,14H2,(H,23,26).
What are the key properties of N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 388.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78762625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).