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

C20H20N4O3S — CID 95098181

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H20N4O3S/c25-17(21-12-16-7-4-10-26-16)13-28-18-9-8-15(11-22-18)20-23-19(24-27-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)/t16-/m0/s1
InChIKeyPASHEVGBGQUEFW-INIZCTEOSA-N
MW396.47 g/mol
LogP3.19
Rot. Bonds7

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

N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 95098181) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID95098181
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESO=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H20N4O3S/c25-17(21-12-16-7-4-10-26-16)13-28-18-9-8-15(11-22-18)20-23-19(24-27-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)/t16-/m0/s1
InChIKeyPASHEVGBGQUEFW-INIZCTEOSA-N
XLogP3.19
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829235
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8019525
N-[[(2S)-oxolan-2-yl]methyl]-2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
CID 7099267
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide
CID 50746083
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501
2-[6-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92687611
2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7206133
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
2-[[5-[cyclohexyl(methyl)sulfamoyl]-2-pyridinyl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40681007
2-[[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51408170
N-(oxolan-2-ylmethyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094395

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 95098181) is N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is O=C(CSc1ccc(-c2nc(-c3ccccc3)no2)cn1)NC[C@@H]1CCCO1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is PASHEVGBGQUEFW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-17(21-12-16-7-4-10-26-16)13-28-18-9-8-15(11-22-18)20-23-19(24-27-20)14-5-2-1-3-6-14/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 396.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 95098181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).