2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

C17H28N2O3 — CID 56775508

IUPAC2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(CC2(NCC3CCCCC3)COC2)no1
InChIInChI=1S/C17H28N2O3/c1-16(2,20)15-8-14(19-22-15)9-17(11-21-12-17)18-10-13-6-4-3-5-7-13/h8,13,18,20H,3-7,9-12H2,1-2H3
InChIKeyPCFRJLVLZALYSK-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.38
Rot. Bonds6

About 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol

2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (PubChem CID 56775508) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
PubChem CID56775508
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol
SMILESCC(C)(O)c1cc(CC2(NCC3CCCCC3)COC2)no1
InChIInChI=1S/C17H28N2O3/c1-16(2,20)15-8-14(19-22-15)9-17(11-21-12-17)18-10-13-6-4-3-5-7-13/h8,13,18,20H,3-7,9-12H2,1-2H3
InChIKeyPCFRJLVLZALYSK-UHFFFAOYSA-N
XLogP2.38
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol 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 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol (CID 56775508) is 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is CC(C)(O)c1cc(CC2(NCC3CCCCC3)COC2)no1.
What is the InChIKey of 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
The InChIKey is PCFRJLVLZALYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-16(2,20)15-8-14(19-22-15)9-17(11-21-12-17)18-10-13-6-4-3-5-7-13/h8,13,18,20H,3-7,9-12H2,1-2H3.
What are the key properties of 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol?
2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol has a molecular weight of 308.42 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(cyclohexylmethylamino)oxetan-3-yl]methyl]-1,2-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 56775508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).