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

C21H21FN4O2 — CID 99581424

IUPAC1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)ccc21
InChIInChI=1S/C21H21FN4O2/c1-12-10-16(4-6-18(12)22)20-24-21(28-25-20)13(2)23-17-5-7-19-15(11-17)8-9-26(19)14(3)27/h4-7,10-11,13,23H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyRDPMXAZBZYAINQ-CYBMUJFWSA-N
MW380.42 g/mol
LogP4.27
Rot. Bonds4

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

1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 99581424) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID99581424
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)ccc21
InChIInChI=1S/C21H21FN4O2/c1-12-10-16(4-6-18(12)22)20-24-21(28-25-20)13(2)23-17-5-7-19-15(11-17)8-9-26(19)14(3)27/h4-7,10-11,13,23H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyRDPMXAZBZYAINQ-CYBMUJFWSA-N
XLogP4.27
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-[[(1R)-1-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-2,3-dihydroindol-1-yl]ethanone
CID 34275282
1-[5-[1-(3-propyl-1,2,4-oxadiazol-5-yl)ethylamino]-2,3-dihydroindol-1-yl]ethanone
CID 51078421
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 25360343
[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
CID 110900364
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 78881465
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344244
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 78881162
4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
CID 60583020
1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122006743
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26063123

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 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) is 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(N[C@H](C)c3nc(-c4ccc(F)c(C)c4)no3)ccc21.
What is the InChIKey of 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is RDPMXAZBZYAINQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-12-10-16(4-6-18(12)22)20-24-21(28-25-20)13(2)23-17-5-7-19-15(11-17)8-9-26(19)14(3)27/h4-7,10-11,13,23H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[[(1R)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 380.42 g/mol, XLogP of 4.27, 4 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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 99581424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).