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

C18H18N4O2S — CID 131896793

IUPAC2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CSc2nnc(C)o2)c2ccncc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-12-3-5-14(6-4-12)17(15-7-9-19-10-8-15)20-16(23)11-25-18-22-21-13(2)24-18/h3-10,17H,11H2,1-2H3,(H,20,23)
InChIKeyBHRAUSKUUFYFDE-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.08
Rot. Bonds6

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

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 131896793) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID131896793
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CSc2nnc(C)o2)c2ccncc2)cc1
InChIInChI=1S/C18H18N4O2S/c1-12-3-5-14(6-4-12)17(15-7-9-19-10-8-15)20-16(23)11-25-18-22-21-13(2)24-18/h3-10,17H,11H2,1-2H3,(H,20,23)
InChIKeyBHRAUSKUUFYFDE-UHFFFAOYSA-N
XLogP3.08
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 51432520
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-methylphenyl)ethanone
CID 3993034
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
N-[(2S)-butan-2-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7816308
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 9373833
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 95209344
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 4828679
N-benzhydryl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2083119

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (CID 131896793) is 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is Cc1ccc(C(NC(=O)CSc2nnc(C)o2)c2ccncc2)cc1.
What is the InChIKey of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is BHRAUSKUUFYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12-3-5-14(6-4-12)17(15-7-9-19-10-8-15)20-16(23)11-25-18-22-21-13(2)24-18/h3-10,17H,11H2,1-2H3,(H,20,23).
What are the key properties of 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 131896793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).