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

C18H18N4O2 — CID 3238056

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-3-6-14(7-4-12)18-21-17(24-22-18)10-9-16(23)20-15-8-5-13(2)11-19-15/h3-8,11H,9-10H2,1-2H3,(H,19,20,23)
InChIKeyVLEHLEQQFUSKQL-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.32
Rot. Bonds5

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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 3238056) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID3238056
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C18H18N4O2/c1-12-3-6-14(7-4-12)18-21-17(24-22-18)10-9-16(23)20-15-8-5-13(2)11-19-15/h3-8,11H,9-10H2,1-2H3,(H,19,20,23)
InChIKeyVLEHLEQQFUSKQL-UHFFFAOYSA-N
XLogP3.32
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Psn-375,963
CID 2875918
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 1991339
1-[(4-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 24686893
5-keto-1-(4-methylbenzyl)-N-(5-methyl-2-pyridyl)pyrrolidine-3-carboxamide
CID 24980408
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9968741
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10133038
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10156141
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
CID 16748896
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 16748897
(3R)-6-cyclohexyl-3-{3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 16748898
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 16748901

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide (CID 3238056) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(-c2noc(CCC(=O)Nc3ccc(C)cn3)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is VLEHLEQQFUSKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-3-6-14(7-4-12)18-21-17(24-22-18)10-9-16(23)20-15-8-5-13(2)11-19-15/h3-8,11H,9-10H2,1-2H3,(H,19,20,23).
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 3238056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).