2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol

C11H18N2O3 — CID 102636138

IUPAC2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(CO)co1)C1CCCCC1O
InChIInChI=1S/C11H18N2O3/c1-13(9-4-2-3-5-10(9)15)11-12-8(6-14)7-16-11/h7,9-10,14-15H,2-6H2,1H3
InChIKeyXEUXAGUHROMQAC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.91
Rot. Bonds3

About 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol

2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol (PubChem CID 102636138) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol
PubChem CID102636138
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol
SMILESCN(c1nc(CO)co1)C1CCCCC1O
InChIInChI=1S/C11H18N2O3/c1-13(9-4-2-3-5-10(9)15)11-12-8(6-14)7-16-11/h7,9-10,14-15H,2-6H2,1H3
InChIKeyXEUXAGUHROMQAC-UHFFFAOYSA-N
XLogP0.91
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol (CID 102636138) is 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol is CN(c1nc(CO)co1)C1CCCCC1O.
What is the InChIKey of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol?
The InChIKey is XEUXAGUHROMQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13(9-4-2-3-5-10(9)15)11-12-8(6-14)7-16-11/h7,9-10,14-15H,2-6H2,1H3.
What are the key properties of 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol?
2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)-1,3-oxazol-2-yl]-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).