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

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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).