N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C17H15ClN4O2S — CID 18083179

IUPACN-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cn3)o2)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-10-3-5-12(6-4-10)16-21-22-17(24-16)25-11(2)15(23)20-14-8-7-13(18)9-19-14/h3-9,11H,1-2H3,(H,19,20,23)
InChIKeyHCLXIUFUUAOWNF-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.21
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 18083179) has the molecular formula C17H15ClN4O2S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID18083179
Molecular FormulaC17H15ClN4O2S
Molecular Weight374.85 g/mol
Exact Mass374.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESCc1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cn3)o2)cc1
InChIInChI=1S/C17H15ClN4O2S/c1-10-3-5-12(6-4-10)16-21-22-17(24-16)25-11(2)15(23)20-14-8-7-13(18)9-19-14/h3-9,11H,1-2H3,(H,19,20,23)
InChIKeyHCLXIUFUUAOWNF-UHFFFAOYSA-N
XLogP4.21
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7661244
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
(2S)-N-(3-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556659
(2R)-N-(4-acetamidophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7815978
(2R)-N-(2,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8552931
N-(2,5-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78722399
N-carbamoyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4825431
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556817
4-[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoylamino]benzamide
CID 42902457
4-[[(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoyl]amino]benzamide
CID 7907106
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 94188894
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8748466

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 18083179) is N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is Cc1ccc(-c2nnc(SC(C)C(=O)Nc3ccc(Cl)cn3)o2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is HCLXIUFUUAOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S/c1-10-3-5-12(6-4-10)16-21-22-17(24-16)25-11(2)15(23)20-14-8-7-13(18)9-19-14/h3-9,11H,1-2H3,(H,19,20,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 374.85 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 18083179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).