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

C13H22N2O2 — CID 102660490

IUPAC[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCC(C)(C)C1CCC(c2nc(CO)no2)CC1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)10-6-4-9(5-7-10)12-14-11(8-16)15-17-12/h9-10,16H,4-8H2,1-3H3
InChIKeyKJCLLNCFSRMMBH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.88
Rot. Bonds2

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

[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660490) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660490
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCC(C)(C)C1CCC(c2nc(CO)no2)CC1
InChIInChI=1S/C13H22N2O2/c1-13(2,3)10-6-4-9(5-7-10)12-14-11(8-16)15-17-12/h9-10,16H,4-8H2,1-3H3
InChIKeyKJCLLNCFSRMMBH-UHFFFAOYSA-N
XLogP2.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol with MolForge

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Related Compounds

2-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62717760
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 75436511
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propan-1-ol
CID 115659683
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
3-(4-chlorophenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 136564067
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
3-[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971647

Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660490) is [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol is CC(C)(C)C1CCC(c2nc(CO)no2)CC1.
What is the InChIKey of [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is KJCLLNCFSRMMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)10-6-4-9(5-7-10)12-14-11(8-16)15-17-12/h9-10,16H,4-8H2,1-3H3.
What are the key properties of [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).