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

C25H22N4O2 — CID 38748936

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C25H22N4O2/c30-23(14-15-24-27-25(28-31-24)19-9-2-1-3-10-19)26-20-11-5-7-13-22(20)29-17-16-18-8-4-6-12-21(18)29/h1-13H,14-17H2,(H,26,30)
InChIKeyXRAWLLWHOMNJGT-UHFFFAOYSA-N
MW410.48 g/mol
LogP5.00
Rot. Bonds6

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

N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 38748936) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID38748936
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C25H22N4O2/c30-23(14-15-24-27-25(28-31-24)19-9-2-1-3-10-19)26-20-11-5-7-13-22(20)29-17-16-18-8-4-6-12-21(18)29/h1-13H,14-17H2,(H,26,30)
InChIKeyXRAWLLWHOMNJGT-UHFFFAOYSA-N
XLogP5.00
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762972
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 38749303
N-(2-pyrazol-1-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55763749
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 39966336
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18266633
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-imidazol-1-ylphenyl)propanamide
CID 60512576
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-piperidin-1-ylphenyl)propanamide
CID 36770643
N-(5-acetamido-2-fluorophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 24673840
N-(2-fluoro-5-methylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18197998
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 24599946
N-[2-(azepan-1-yl)phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 24652788

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 38748936) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is XRAWLLWHOMNJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-23(14-15-24-27-25(28-31-24)19-9-2-1-3-10-19)26-20-11-5-7-13-22(20)29-17-16-18-8-4-6-12-21(18)29/h1-13H,14-17H2,(H,26,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 410.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 38748936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).