[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol

C13H20N2O2 — CID 116882692

IUPAC[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol
SMILESOCC1(c2ncc(C3CCCCC3)[nH]2)COC1
InChIInChI=1S/C13H20N2O2/c16-7-13(8-17-9-13)12-14-6-11(15-12)10-4-2-1-3-5-10/h6,10,16H,1-5,7-9H2,(H,14,15)
InChIKeyGRMLQRLYIYYSQQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.72
Rot. Bonds3

About [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol

[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol (PubChem CID 116882692) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol
PubChem CID116882692
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol
SMILESOCC1(c2ncc(C3CCCCC3)[nH]2)COC1
InChIInChI=1S/C13H20N2O2/c16-7-13(8-17-9-13)12-14-6-11(15-12)10-4-2-1-3-5-10/h6,10,16H,1-5,7-9H2,(H,14,15)
InChIKeyGRMLQRLYIYYSQQ-UHFFFAOYSA-N
XLogP1.72
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol?
The IUPAC name of [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol (CID 116882692) is [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol.
What is the SMILES notation for [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol?
The canonical SMILES for [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol is OCC1(c2ncc(C3CCCCC3)[nH]2)COC1.
What is the InChIKey of [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol?
The InChIKey is GRMLQRLYIYYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-7-13(8-17-9-13)12-14-6-11(15-12)10-4-2-1-3-5-10/h6,10,16H,1-5,7-9H2,(H,14,15).
What are the key properties of [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol?
[3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol has a molecular weight of 236.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclohexyl-1H-imidazol-2-yl)oxetan-3-yl]methanol is sourced from PubChem (CID 116882692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).