[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone

C23H23N3O2 — CID 91905792

IUPAC[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)15-7-11-17(12-8-15)23(27)26-19-6-4-3-5-18(19)13-20(26)22-24-21(25-28-22)16-9-10-16/h3-8,11-12,14,16,20H,9-10,13H2,1-2H3
InChIKeyCYOQCHYFJGOBBI-UHFFFAOYSA-N
MW373.46 g/mol
LogP5.01
Rot. Bonds4

About [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone

[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 91905792) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID91905792
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1
InChIInChI=1S/C23H23N3O2/c1-14(2)15-7-11-17(12-8-15)23(27)26-19-6-4-3-5-18(19)13-20(26)22-24-21(25-28-22)16-9-10-16/h3-8,11-12,14,16,20H,9-10,13H2,1-2H3
InChIKeyCYOQCHYFJGOBBI-UHFFFAOYSA-N
XLogP5.01
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methylpropyl)-2,3-dihydroindole-1-carboxamide
CID 91915633
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
N-(5-chloro-2,4-dimethoxyphenyl)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 91905815
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 90564532
N-(2-methylpropyl)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindole-1-carboxamide
CID 110875878
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenylphenyl)methanone
CID 56764452
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 90564707
3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 90564410
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]ethanone
CID 110876590
N-(2-methoxyethyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 110876591
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methylbutyl)-2,3-dihydroindole-1-carboxamide
CID 91913639
[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95110723

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone (CID 91905792) is [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2c3ccccc3CC2c2nc(C3CC3)no2)cc1.
What is the InChIKey of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is CYOQCHYFJGOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-14(2)15-7-11-17(12-8-15)23(27)26-19-6-4-3-5-18(19)13-20(26)22-24-21(25-28-22)16-9-10-16/h3-8,11-12,14,16,20H,9-10,13H2,1-2H3.
What are the key properties of [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone?
[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 91905792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).