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

C19H20N4O2 — CID 31113619

IUPAC3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)14-6-8-15(9-7-14)19-22-18(25-23-19)11-10-17(24)21-16-5-3-4-12-20-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,21,24)
InChIKeyCGYZHHBBXBAVJS-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.83
Rot. Bonds6

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

3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (PubChem CID 31113619) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
PubChem CID31113619
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1
InChIInChI=1S/C19H20N4O2/c1-13(2)14-6-8-15(9-7-14)19-22-18(25-23-19)11-10-17(24)21-16-5-3-4-12-20-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,21,24)
InChIKeyCGYZHHBBXBAVJS-UHFFFAOYSA-N
XLogP3.83
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 17354513
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 100762308
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
N-[(2-chlorophenyl)methyl]-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 30329305
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 18148189
N-(2,5-dimethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31063914
N-(2-phenylbutyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46512546
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30663965
N-(3-aminopropyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119406004
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705568

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide (CID 31113619) is 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1.
What is the InChIKey of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is CGYZHHBBXBAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(2)14-6-8-15(9-7-14)19-22-18(25-23-19)11-10-17(24)21-16-5-3-4-12-20-16/h3-9,12-13H,10-11H2,1-2H3,(H,20,21,24).
What are the key properties of 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide?
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 336.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 31113619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).