1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone

C17H22N4O2 — CID 34275282

IUPAC1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCc1noc([C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-16-19-17(23-20-16)11(2)18-14-6-7-15-13(10-14)8-9-21(15)12(3)22/h6-7,10-11,18H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQIEZZENZISNKTN-LLVKDONJSA-N
MW314.39 g/mol
LogP3.10
Rot. Bonds5

About 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 34275282) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID34275282
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCCCc1noc([C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)n1
InChIInChI=1S/C17H22N4O2/c1-4-5-16-19-17(23-20-16)11(2)18-14-6-7-15-13(10-14)8-9-21(15)12(3)22/h6-7,10-11,18H,4-5,8-9H2,1-3H3/t11-/m1/s1
InChIKeyQIEZZENZISNKTN-LLVKDONJSA-N
XLogP3.10
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 51078421
1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 99581424
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]butanoic acid
CID 115352545
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methylbutanamide
CID 24684877
1-[5-(2-methylbutylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684598
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
1-[5-[(4-propylphenyl)sulfanylamino]-2,3-dihydroindol-1-yl]ethanone
CID 177246549
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromo-3-methylbutanamide
CID 43346617
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone (CID 34275282) is 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone is CCCc1noc([C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)n1.
What is the InChIKey of 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is QIEZZENZISNKTN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-5-16-19-17(23-20-16)11(2)18-14-6-7-15-13(10-14)8-9-21(15)12(3)22/h6-7,10-11,18H,4-5,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 34275282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).