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

C18H25N3O2 — CID 95627492

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
SMILESCCCCc1noc(CN(CCO)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C18H25N3O2/c1-2-3-8-17-19-18(23-20-17)13-21(11-12-22)16-10-9-14-6-4-5-7-15(14)16/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyATUOQUOJGBLZSI-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.89
Rot. Bonds8

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

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol (PubChem CID 95627492) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
PubChem CID95627492
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol
SMILESCCCCc1noc(CN(CCO)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C18H25N3O2/c1-2-3-8-17-19-18(23-20-17)13-21(11-12-22)16-10-9-14-6-4-5-7-15(14)16/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1
InChIKeyATUOQUOJGBLZSI-MRXNPFEDSA-N
XLogP2.89
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859
3-[2,3-dihydro-1H-inden-1-yl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111496463
2-[cyclopropyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 60774430
(1S)-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
CID 95899787
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
2-[2,3-dihydro-1H-inden-1-yl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]ethanol
CID 111333542
N-cyclopropyl-N-[[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 71986989
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-cyclohexylamino]ethanol
CID 110908622
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol (CID 95627492) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol is CCCCc1noc(CN(CCO)[C@@H]2CCc3ccccc32)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol?
The InChIKey is ATUOQUOJGBLZSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-3-8-17-19-18(23-20-17)13-21(11-12-22)16-10-9-14-6-4-5-7-15(14)16/h4-7,16,22H,2-3,8-13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]ethanol is sourced from PubChem (CID 95627492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).