4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C15H19N3O2 — CID 66250519

IUPAC4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1cccc(Cc2noc(C3(C)COCC3N)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-3-5-11(6-10)7-13-17-14(20-18-13)15(2)9-19-8-12(15)16/h3-6,12H,7-9,16H2,1-2H3
InChIKeyZUUKGAGINKDYJY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds3

About 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66250519) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66250519
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1cccc(Cc2noc(C3(C)COCC3N)n2)c1
InChIInChI=1S/C15H19N3O2/c1-10-4-3-5-11(6-10)7-13-17-14(20-18-13)15(2)9-19-8-12(15)16/h3-6,12H,7-9,16H2,1-2H3
InChIKeyZUUKGAGINKDYJY-UHFFFAOYSA-N
XLogP1.58
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83209959
4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 79405959
5-(2-ethylpyrrolidin-2-yl)-3-[(3-methylphenyl)methyl]-1,2,4-oxadiazole
CID 83071041
2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63350679
4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345462
4-methyl-4-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66249155
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66248171
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474101
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540050
2-methoxy-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 114144520
(1S,2R)-1-amino-1-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 104965432
3-[(3-methylphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780864

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66250519) is 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cc1cccc(Cc2noc(C3(C)COCC3N)n2)c1.
What is the InChIKey of 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is ZUUKGAGINKDYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-4-3-5-11(6-10)7-13-17-14(20-18-13)15(2)9-19-8-12(15)16/h3-6,12H,7-9,16H2,1-2H3.
What are the key properties of 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66250519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).