3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide

C17H16N4O2 — CID 46265246

IUPAC3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cccc(-c2noc(CCC(=O)Nc3ccncc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-3-2-4-13(11-12)17-20-16(23-21-17)6-5-15(22)19-14-7-9-18-10-8-14/h2-4,7-11H,5-6H2,1H3,(H,18,19,22)
InChIKeyUAYUMKISUAFZJJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.01
Rot. Bonds5

About 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide

3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide (PubChem CID 46265246) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
PubChem CID46265246
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide
SMILESCc1cccc(-c2noc(CCC(=O)Nc3ccncc3)n2)c1
InChIInChI=1S/C17H16N4O2/c1-12-3-2-4-13(11-12)17-20-16(23-21-17)6-5-15(22)19-14-7-9-18-10-8-14/h2-4,7-11H,5-6H2,1H3,(H,18,19,22)
InChIKeyUAYUMKISUAFZJJ-UHFFFAOYSA-N
XLogP3.01
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-iodophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758297
N-(3-bromophenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 99773154
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-sulfamoylphenyl)propanamide
CID 100758466
ethyl 4-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzoate
CID 666398
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)propanamide
CID 3723670
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(2,2-dimethylpropyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100758647
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzoate
CID 17101301
N-(2-butan-2-ylpyrazol-3-yl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46987097
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide (CID 46265246) is 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide is Cc1cccc(-c2noc(CCC(=O)Nc3ccncc3)n2)c1.
What is the InChIKey of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide?
The InChIKey is UAYUMKISUAFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-3-2-4-13(11-12)17-20-16(23-21-17)6-5-15(22)19-14-7-9-18-10-8-14/h2-4,7-11H,5-6H2,1H3,(H,18,19,22).
What are the key properties of 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide?
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide has a molecular weight of 308.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 46265246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).