[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol

C15H24N2O4 — CID 56775612

IUPAC[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol
SMILESOCc1cc(CC2(NC3CCC(CO)CC3)COC2)no1
InChIInChI=1S/C15H24N2O4/c18-7-11-1-3-12(4-2-11)16-15(9-20-10-15)6-13-5-14(8-19)21-17-13/h5,11-12,16,18-19H,1-4,6-10H2
InChIKeyQJGLUPOXIIOISW-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.62
Rot. Bonds6

About [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol

[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol (PubChem CID 56775612) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol
PubChem CID56775612
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol
SMILESOCc1cc(CC2(NC3CCC(CO)CC3)COC2)no1
InChIInChI=1S/C15H24N2O4/c18-7-11-1-3-12(4-2-11)16-15(9-20-10-15)6-13-5-14(8-19)21-17-13/h5,11-12,16,18-19H,1-4,6-10H2
InChIKeyQJGLUPOXIIOISW-UHFFFAOYSA-N
XLogP0.62
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol (CID 56775612) is [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol is OCc1cc(CC2(NC3CCC(CO)CC3)COC2)no1.
What is the InChIKey of [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol?
The InChIKey is QJGLUPOXIIOISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-7-11-1-3-12(4-2-11)16-15(9-20-10-15)6-13-5-14(8-19)21-17-13/h5,11-12,16,18-19H,1-4,6-10H2.
What are the key properties of [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol?
[4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol has a molecular weight of 296.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]methyl]oxetan-3-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 56775612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).