1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol

C18H25N3O4 — CID 102554061

IUPAC1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCOCC2c2nc(C)no2)c1
InChIInChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3
InChIKeyXWLLZSHXWYBZPU-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds6

About 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol

1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol (PubChem CID 102554061) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
PubChem CID102554061
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol
SMILESCc1ccc(C)c(OCC(O)CN2CCOCC2c2nc(C)no2)c1
InChIInChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3
InChIKeyXWLLZSHXWYBZPU-UHFFFAOYSA-N
XLogP1.81
TPSA80.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-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 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol (CID 102554061) is 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol is Cc1ccc(C)c(OCC(O)CN2CCOCC2c2nc(C)no2)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
The InChIKey is XWLLZSHXWYBZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-12-4-5-13(2)17(8-12)24-10-15(22)9-21-6-7-23-11-16(21)18-19-14(3)20-25-18/h4-5,8,15-16,22H,6-7,9-11H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol?
1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol has a molecular weight of 347.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 102554061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).