2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol

C13H20N2O2 — CID 106483179

IUPAC2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
SMILESCC1(c2noc(CC3CCCCC3O)n2)CC1
InChIInChI=1S/C13H20N2O2/c1-13(6-7-13)12-14-11(17-15-12)8-9-4-2-3-5-10(9)16/h9-10,16H,2-8H2,1H3
InChIKeyQPPXZDSERWPPRC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol

2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol (PubChem CID 106483179) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
PubChem CID106483179
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
SMILESCC1(c2noc(CC3CCCCC3O)n2)CC1
InChIInChI=1S/C13H20N2O2/c1-13(6-7-13)12-14-11(17-15-12)8-9-4-2-3-5-10(9)16/h9-10,16H,2-8H2,1H3
InChIKeyQPPXZDSERWPPRC-UHFFFAOYSA-N
XLogP2.21
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483233
2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483124
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235
N-ethyl-2-[[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483538
2-[3-(1-methylcyclobutyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115015955
2-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol
CID 106483201
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-4-methylcyclohexan-1-amine
CID 61351527
2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525935
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439
5-methyl-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 118264609
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
2-[3-(1-ethyl-4-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]acetamide
CID 59869122

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol (CID 106483179) is 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol is CC1(c2noc(CC3CCCCC3O)n2)CC1.
What is the InChIKey of 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
The InChIKey is QPPXZDSERWPPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(6-7-13)12-14-11(17-15-12)8-9-4-2-3-5-10(9)16/h9-10,16H,2-8H2,1H3.
What are the key properties of 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol?
2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol has a molecular weight of 236.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106483179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).