1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

C13H22N2O2 — CID 65391274

IUPAC1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C13H22N2O2/c1-9(16)8-11-14-12(15-17-11)10-4-6-13(2,3)7-5-10/h9-10,16H,4-8H2,1-3H3
InChIKeyPAZHHVOTKWBONT-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds3

About 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol

1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 65391274) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID65391274
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(C2CCC(C)(C)CC2)no1
InChIInChI=1S/C13H22N2O2/c1-9(16)8-11-14-12(15-17-11)10-4-6-13(2,3)7-5-10/h9-10,16H,4-8H2,1-3H3
InChIKeyPAZHHVOTKWBONT-UHFFFAOYSA-N
XLogP2.68
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 65391274) is 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)Cc1nc(C2CCC(C)(C)CC2)no1.
What is the InChIKey of 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is PAZHHVOTKWBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(16)8-11-14-12(15-17-11)10-4-6-13(2,3)7-5-10/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 65391274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).