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

C15H19N3O2 — CID 66238055

IUPACN-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(Cc2ccc(C)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10-3-5-11(6-4-10)7-14-17-15(20-18-14)12-8-19-9-13(12)16-2/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeySAZCJJTZXIYNRV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds4

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

N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 66238055) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID66238055
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCNC1COCC1c1nc(Cc2ccc(C)cc2)no1
InChIInChI=1S/C15H19N3O2/c1-10-3-5-11(6-4-10)7-14-17-15(20-18-14)12-8-19-9-13(12)16-2/h3-6,12-13,16H,7-9H2,1-2H3
InChIKeySAZCJJTZXIYNRV-UHFFFAOYSA-N
XLogP1.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-4-[3-[(4-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 66238055) is N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is CNC1COCC1c1nc(Cc2ccc(C)cc2)no1.
What is the InChIKey of N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is SAZCJJTZXIYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-3-5-11(6-4-10)7-14-17-15(20-18-14)12-8-19-9-13(12)16-2/h3-6,12-13,16H,7-9H2,1-2H3.
What are the key properties of N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 273.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 66238055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).