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

C16H14N4O2S — CID 3161728

IUPACN-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O2S/c1-11-6-2-3-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-4-5-9-17-13/h2-9H,10H2,1H3,(H,18,21)
InChIKeyXONSJYRUIPBDKC-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.17
Rot. Bonds5

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

N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3161728) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3161728
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O2S/c1-11-6-2-3-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-4-5-9-17-13/h2-9H,10H2,1H3,(H,18,21)
InChIKeyXONSJYRUIPBDKC-UHFFFAOYSA-N
XLogP3.17
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3161728) is N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1.
What is the InChIKey of N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XONSJYRUIPBDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-11-6-2-3-7-12(11)18-14(21)10-23-16-20-19-15(22-16)13-8-4-5-9-17-13/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3161728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).