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

C20H28N4O2 — CID 46982575

IUPAC3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C20H28N4O2/c1-23(19(25)12-15-24-13-8-3-2-4-9-14-24)16-18-21-20(22-26-18)17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
InChIKeyPLRSKCADQIHHTQ-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.35
Rot. Bonds6

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

3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (PubChem CID 46982575) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
PubChem CID46982575
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
SMILESCN(Cc1nc(-c2ccccc2)no1)C(=O)CCN1CCCCCCC1
InChIInChI=1S/C20H28N4O2/c1-23(19(25)12-15-24-13-8-3-2-4-9-14-24)16-18-21-20(22-26-18)17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3
InChIKeyPLRSKCADQIHHTQ-UHFFFAOYSA-N
XLogP3.35
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzylsulfanyl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 50875142
N-methyl-2-(4-methylphenyl)sulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 50874866
3-(4-fluorophenyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 100548168
3-phenyl-5-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole
CID 154128947
2-(methanesulfonamido)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70716129
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
2-(2-chlorophenoxy)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 6462945
N-methyl-1-methylsulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50945556
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenylbutanamide
CID 8874898
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-4-phenoxybutanamide
CID 8875186
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide (CID 46982575) is 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is CN(Cc1nc(-c2ccccc2)no1)C(=O)CCN1CCCCCCC1.
What is the InChIKey of 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
The InChIKey is PLRSKCADQIHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23(19(25)12-15-24-13-8-3-2-4-9-14-24)16-18-21-20(22-26-18)17-10-6-5-7-11-17/h5-7,10-11H,2-4,8-9,12-16H2,1H3.
What are the key properties of 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide?
3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide has a molecular weight of 356.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 46982575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).