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

C15H23N3O2 — CID 104633299

IUPAC2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC12CC3CC(C1)CC(c1nc(C(N)CO)no1)(C3)C2
InChIInChI=1S/C15H23N3O2/c1-14-3-9-2-10(4-14)6-15(5-9,8-14)13-17-12(18-20-13)11(16)7-19/h9-11,19H,2-8,16H2,1H3
InChIKeyZOOBWRXLCJWZNM-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.92
Rot. Bonds3

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

2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633299) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633299
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC12CC3CC(C1)CC(c1nc(C(N)CO)no1)(C3)C2
InChIInChI=1S/C15H23N3O2/c1-14-3-9-2-10(4-14)6-15(5-9,8-14)13-17-12(18-20-13)11(16)7-19/h9-11,19H,2-8,16H2,1H3
InChIKeyZOOBWRXLCJWZNM-UHFFFAOYSA-N
XLogP1.92
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915854
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653708
2-amino-2-[5-(1-cyclopropylethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633437
3-[5-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79999740
[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660304
(1R)-1-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899834
2-[3-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79995037
2-amino-2-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 130605155
2-amino-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633189
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324476
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633268

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633299) is 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol is CC12CC3CC(C1)CC(c1nc(C(N)CO)no1)(C3)C2.
What is the InChIKey of 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is ZOOBWRXLCJWZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14-3-9-2-10(4-14)6-15(5-9,8-14)13-17-12(18-20-13)11(16)7-19/h9-11,19H,2-8,16H2,1H3.
What are the key properties of 2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 277.37 g/mol, XLogP of 1.92, 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-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).