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

C13H15N3O2 — CID 113435341

IUPAC2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H15N3O2/c14-11(7-17)12-15-13(18-16-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,17H,1-3,7,14H2
InChIKeyWDSNDISDVJKKNF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.22
Rot. Bonds3

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

2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 113435341) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID113435341
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C13H15N3O2/c14-11(7-17)12-15-13(18-16-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,17H,1-3,7,14H2
InChIKeyWDSNDISDVJKKNF-UHFFFAOYSA-N
XLogP1.22
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
1-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63743359
2-amino-2-[5-(3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633369
2-amino-2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114018606
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 113435341) is 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is WDSNDISDVJKKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-11(7-17)12-15-13(18-16-12)10-5-4-8-2-1-3-9(8)6-10/h4-6,11,17H,1-3,7,14H2.
What are the key properties of 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 245.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 113435341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).