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

C17H16N4O2S — CID 3574247

IUPACN-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1C
InChIInChI=1S/C17H16N4O2S/c1-11-5-3-7-14(12(11)2)19-15(22)10-24-17-21-20-16(23-17)13-6-4-8-18-9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyZXXATIFLSQUXNO-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.48
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3574247) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3574247
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1C
InChIInChI=1S/C17H16N4O2S/c1-11-5-3-7-14(12(11)2)19-15(22)10-24-17-21-20-16(23-17)13-6-4-8-18-9-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyZXXATIFLSQUXNO-UHFFFAOYSA-N
XLogP3.48
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3574247) is N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is ZXXATIFLSQUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-5-3-7-14(12(11)2)19-15(22)10-24-17-21-20-16(23-17)13-6-4-8-18-9-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3574247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).