2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

C20H21N3O2 — CID 111333577

IUPAC2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1nc(-c2ccccc2)no1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3O2/c24-13-12-23(18-11-10-15-6-4-5-9-17(15)18)14-19-21-20(22-25-19)16-7-2-1-3-8-16/h1-9,18,24H,10-14H2
InChIKeyCAYBAIGWBYXMIU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds6

About 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol

2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (PubChem CID 111333577) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
PubChem CID111333577
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1nc(-c2ccccc2)no1)C1CCc2ccccc21
InChIInChI=1S/C20H21N3O2/c24-13-12-23(18-11-10-15-6-4-5-9-17(15)18)14-19-21-20(22-25-19)16-7-2-1-3-8-16/h1-9,18,24H,10-14H2
InChIKeyCAYBAIGWBYXMIU-UHFFFAOYSA-N
XLogP3.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
CID 95627492
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
CID 95627737
2-[2-methoxyethyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111103170
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
CID 111457038
N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
CID 106511136
(1S)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 95899787

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol (CID 111333577) is 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is OCCN(Cc1nc(-c2ccccc2)no1)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
The InChIKey is CAYBAIGWBYXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-13-12-23(18-11-10-15-6-4-5-9-17(15)18)14-19-21-20(22-25-19)16-7-2-1-3-8-16/h1-9,18,24H,10-14H2.
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol?
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol has a molecular weight of 335.41 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 111333577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).