3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

C23H22N6O2 — CID 24599946

IUPAC3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H22N6O2/c30-19(12-13-20-27-21(28-31-20)16-8-2-1-3-9-16)26-22-23(29-14-6-7-15-29)25-18-11-5-4-10-17(18)24-22/h1-5,8-11H,6-7,12-15H2,(H,24,26,30)
InChIKeyZQYDIMCBUULHPS-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.85
Rot. Bonds6

About 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (PubChem CID 24599946) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
PubChem CID24599946
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C23H22N6O2/c30-19(12-13-20-27-21(28-31-20)16-8-2-1-3-9-16)26-22-23(29-14-6-7-15-29)25-18-11-5-4-10-17(18)24-22/h1-5,8-11H,6-7,12-15H2,(H,24,26,30)
InChIKeyZQYDIMCBUULHPS-UHFFFAOYSA-N
XLogP3.85
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 46691974
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18266633
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 38748936
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 75403364
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The IUPAC name of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (CID 24599946) is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.
What is the SMILES notation for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The canonical SMILES for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
The InChIKey is ZQYDIMCBUULHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-19(12-13-20-27-21(28-31-20)16-8-2-1-3-9-16)26-22-23(29-14-6-7-15-29)25-18-11-5-4-10-17(18)24-22/h1-5,8-11H,6-7,12-15H2,(H,24,26,30).
What are the key properties of 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide has a molecular weight of 414.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is sourced from PubChem (CID 24599946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).