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

C16H14N4O3S — CID 7559267

IUPACN-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C16H14N4O3S/c1-22-13-6-2-5-12(8-13)18-14(21)10-24-16-20-19-15(23-16)11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeySMFOQJCHLNDIMW-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.87
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 7559267) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID7559267
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C16H14N4O3S/c1-22-13-6-2-5-12(8-13)18-14(21)10-24-16-20-19-15(23-16)11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,18,21)
InChIKeySMFOQJCHLNDIMW-UHFFFAOYSA-N
XLogP2.87
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 7559267) is N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is SMFOQJCHLNDIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-22-13-6-2-5-12(8-13)18-14(21)10-24-16-20-19-15(23-16)11-4-3-7-17-9-11/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 342.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 7559267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).