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

C13H18N2O2 — CID 102660304

IUPAC[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H18N2O2/c16-7-11-14-12(17-15-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10,16H,1-7H2
InChIKeyBDDZBTAYUZJGNR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.03
Rot. Bonds2

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

[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660304) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660304
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(C23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C13H18N2O2/c16-7-11-14-12(17-15-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10,16H,1-7H2
InChIKeyBDDZBTAYUZJGNR-UHFFFAOYSA-N
XLogP2.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324476
2-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653708
1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol
CID 66166098
3-[5-(3,5-dimethyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79999740
2-amino-2-[5-(3-methyl-1-adamantyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633299
[(5S,7S)-3-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-1-adamantyl] acetate
CID 98221139
[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660490
3-(1-adamantyl)-5-chloro-1,2,4-oxadiazole
CID 62796411
[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 119947905
2-[[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 62955462
5-(1-adamantylmethyl)-3-chloro-1,2,4-oxadiazole
CID 112571971
[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660427

Frequently Asked Questions

What is the IUPAC name of [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660304) is [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(C23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is BDDZBTAYUZJGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-7-11-14-12(17-15-11)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10,16H,1-7H2.
What are the key properties of [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 234.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).