1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

C21H27N3O3 — CID 91832505

IUPAC1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCCC1=NOC(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)C1
InChIInChI=1S/C21H27N3O3/c1-2-17-12-19(27-22-17)15-24-10-8-21(25,9-11-24)14-18-13-20(23-26-18)16-6-4-3-5-7-16/h3-7,13,19,25H,2,8-12,14-15H2,1H3
InChIKeyZLBVMIGCJDDBJW-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.27
Rot. Bonds6

About 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol

1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (PubChem CID 91832505) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
PubChem CID91832505
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
SMILESCCC1=NOC(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)C1
InChIInChI=1S/C21H27N3O3/c1-2-17-12-19(27-22-17)15-24-10-8-21(25,9-11-24)14-18-13-20(23-26-18)16-6-4-3-5-7-16/h3-7,13,19,25H,2,8-12,14-15H2,1H3
InChIKeyZLBVMIGCJDDBJW-UHFFFAOYSA-N
XLogP3.27
TPSA71.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-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 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol (CID 91832505) is 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is CCC1=NOC(CN2CCC(O)(Cc3cc(-c4ccccc4)no3)CC2)C1.
What is the InChIKey of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
The InChIKey is ZLBVMIGCJDDBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-17-12-19(27-22-17)15-24-10-8-21(25,9-11-24)14-18-13-20(23-26-18)16-6-4-3-5-7-16/h3-7,13,19,25H,2,8-12,14-15H2,1H3.
What are the key properties of 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol?
1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol has a molecular weight of 369.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 91832505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).