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

C16H14N4O3S — CID 3161731

IUPACN-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O3S/c1-22-13-8-3-2-6-11(13)18-14(21)10-24-16-20-19-15(23-16)12-7-4-5-9-17-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyOZZRFDZYUKIOIF-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.87
Rot. Bonds6

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

N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3161731) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID3161731
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C16H14N4O3S/c1-22-13-8-3-2-6-11(13)18-14(21)10-24-16-20-19-15(23-16)12-7-4-5-9-17-12/h2-9H,10H2,1H3,(H,18,21)
InChIKeyOZZRFDZYUKIOIF-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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Related Compounds

N-(3-Chloro-phenyl)-2-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 3161730
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
N-phenyl-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3153962
N-(2-Chloro-phenyl)-2-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 3161732
N-(2-methoxyphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 662138
1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
N-(2-fluorophenyl)-2-{[5-(2-pyridinyl)-1,3,4-oxadiazol-2-yl]thio}acetamide
CID 3901787
N-(2-ethoxyphenyl)-2-{[5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 4519704
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 16311908

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3161731) is N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is COc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is OZZRFDZYUKIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-22-13-8-3-2-6-11(13)18-14(21)10-24-16-20-19-15(23-16)12-7-4-5-9-17-12/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-methoxyphenyl)-2-[(5-pyridin-2-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-(2-methoxyphenyl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).