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

C16H11N5O2S — CID 78762420

IUPACN-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C16H11N5O2S/c17-9-11-2-1-3-13(8-11)19-14(22)10-24-16-21-20-15(23-16)12-4-6-18-7-5-12/h1-8H,10H2,(H,19,22)
InChIKeyZUFOBIPMLKLVGR-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.73
Rot. Bonds5

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

N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 78762420) has the molecular formula C16H11N5O2S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID78762420
Molecular FormulaC16H11N5O2S
Molecular Weight337.36 g/mol
Exact Mass337.06
IUPAC NameN-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESN#Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c1
InChIInChI=1S/C16H11N5O2S/c17-9-11-2-1-3-13(8-11)19-14(22)10-24-16-21-20-15(23-16)12-4-6-18-7-5-12/h1-8H,10H2,(H,19,22)
InChIKeyZUFOBIPMLKLVGR-UHFFFAOYSA-N
XLogP2.73
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-2-yl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4273230
4-[[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
CID 134066941
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 4267462
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-4-ylacetamide
CID 5240924
N-(3-fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3928884
N-(3-chlorophenyl)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5018511
N-(3-ethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4541502
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 7211382
N-(3-iodophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112782883
N-(3-methylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7165769
N-(3-cyanophenyl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 35771903
N-(3-cyanophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butanamide
CID 62255609

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 78762420) is N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is N#Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)o2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZUFOBIPMLKLVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S/c17-9-11-2-1-3-13(8-11)19-14(22)10-24-16-21-20-15(23-16)12-4-6-18-7-5-12/h1-8H,10H2,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 337.36 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 78762420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).