2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide

C17H16N4O2S — CID 838551

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H16N4O2S/c1-12-6-5-9-18-16(12)19-14(22)11-24-17-21-20-15(23-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,22)
InChIKeyFBDJBWKFMHBQJG-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.09
Rot. Bonds6

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide (PubChem CID 838551) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
PubChem CID838551
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1NC(=O)CSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C17H16N4O2S/c1-12-6-5-9-18-16(12)19-14(22)11-24-17-21-20-15(23-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,22)
InChIKeyFBDJBWKFMHBQJG-UHFFFAOYSA-N
XLogP3.09
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]acetamide
CID 71578658
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-pyridin-2-ylacetamide
CID 974448
N-(3,5-dichloro-4-methyl-2-pyridinyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8109591
5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299049
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(5-bromopyridin-2-yl)acetamide
CID 2225018
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
2-[[5-[3-(1H-indol-3-yl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 171355691
N-[5-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]-2-pyridinyl]acetamide
CID 45784114
5-benzyl-N-[(7R)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299155
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 934123
1-(4-Methylpyrimidin-2-yl)-3-(3-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)propyl)urea
CID 18584278
3-{[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]methyl}pyridine
CID 24323715

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide (CID 838551) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1NC(=O)CSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is FBDJBWKFMHBQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-6-5-9-18-16(12)19-14(22)11-24-17-21-20-15(23-17)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19,22).
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 340.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 838551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).