N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C20H22N4O2 — CID 86980573

IUPACN-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-3-6-15-8-10-16(11-9-15)22-18(25)12-13-19-23-20(24-26-19)17-7-4-5-14-21-17/h4-5,7-11,14H,2-3,6,12-13H2,1H3,(H,22,25)
InChIKeyPUYNLFFSLMZBNV-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.05
Rot. Bonds8

About N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 86980573) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID86980573
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCCc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-3-6-15-8-10-16(11-9-15)22-18(25)12-13-19-23-20(24-26-19)17-7-4-5-14-21-17/h4-5,7-11,14H,2-3,6,12-13H2,1H3,(H,22,25)
InChIKeyPUYNLFFSLMZBNV-UHFFFAOYSA-N
XLogP4.05
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
4-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38767965
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
N-(4-piperidin-1-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78867689
N-[3-[(dimethylamino)methyl]phenyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 33129363
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47269714
N-[3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 38856002
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428131
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
(3S)-3-methyl-3-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 97337273

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 86980573) is N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CCCCc1ccc(NC(=O)CCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PUYNLFFSLMZBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-3-6-15-8-10-16(11-9-15)22-18(25)12-13-19-23-20(24-26-19)17-7-4-5-14-21-17/h4-5,7-11,14H,2-3,6,12-13H2,1H3,(H,22,25).
What are the key properties of N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 86980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).