1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol

C14H21N3O2 — CID 66166098

IUPAC1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol
SMILESNCC(O)c1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C14H21N3O2/c15-7-11(18)12-16-13(17-19-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-11,18H,1-7,15H2
InChIKeyXPGIGZVWOARSOQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds3

About 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol

1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol (PubChem CID 66166098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol.

Molecular Properties

Compound Name1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol
PubChem CID66166098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol
SMILESNCC(O)c1nc(C23CC4CC(CC(C4)C2)C3)no1
InChIInChI=1S/C14H21N3O2/c15-7-11(18)12-16-13(17-19-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-11,18H,1-7,15H2
InChIKeyXPGIGZVWOARSOQ-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol?
The IUPAC name of 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol (CID 66166098) is 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol.
What is the SMILES notation for 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol?
The canonical SMILES for 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol is NCC(O)c1nc(C23CC4CC(CC(C4)C2)C3)no1.
What is the InChIKey of 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol?
The InChIKey is XPGIGZVWOARSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-7-11(18)12-16-13(17-19-12)14-4-8-1-9(5-14)3-10(2-8)6-14/h8-11,18H,1-7,15H2.
What are the key properties of 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol?
1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol has a molecular weight of 263.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol is sourced from PubChem (CID 66166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).