2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol

C11H21N3O2 — CID 104633382

IUPAC2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(Cc1nc(C(N)CO)no1)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-7(11(2,3)4)5-9-13-10(14-16-9)8(12)6-15/h7-8,15H,5-6,12H2,1-4H3
InChIKeyNPTXKDMNEVMAFO-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.29
Rot. Bonds4

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

2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633382) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633382
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(Cc1nc(C(N)CO)no1)C(C)(C)C
InChIInChI=1S/C11H21N3O2/c1-7(11(2,3)4)5-9-13-10(14-16-9)8(12)6-15/h7-8,15H,5-6,12H2,1-4H3
InChIKeyNPTXKDMNEVMAFO-UHFFFAOYSA-N
XLogP1.29
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 113435450
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096173
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443194
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
2-amino-2-(5-nonyl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633234
2-amino-2-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633421
2,2-dimethyl-1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 114876392
N',N'-dimethyl-1-[5-(2,4,4-trimethylpentyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635083
3-(1-piperazin-1-ylethyl)-5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazole
CID 63834040
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633382) is 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(Cc1nc(C(N)CO)no1)C(C)(C)C.
What is the InChIKey of 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is NPTXKDMNEVMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(11(2,3)4)5-9-13-10(14-16-9)8(12)6-15/h7-8,15H,5-6,12H2,1-4H3.
What are the key properties of 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 227.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).