3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine

C15H22N2O — CID 11736727

IUPAC3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCC(C)Cc1ccc([C@@H](C)C2=NCCON2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)10-13-4-6-14(7-5-13)12(3)15-16-8-9-18-17-15/h4-7,11-12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyJOJNBBJEYLUPRP-GFCCVEGCSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds4

About 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine

3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine (PubChem CID 11736727) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine.

Molecular Properties

Compound Name3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
PubChem CID11736727
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESCC(C)Cc1ccc([C@@H](C)C2=NCCON2)cc1
InChIInChI=1S/C15H22N2O/c1-11(2)10-13-4-6-14(7-5-13)12(3)15-16-8-9-18-17-15/h4-7,11-12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyJOJNBBJEYLUPRP-GFCCVEGCSA-N
XLogP2.92
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine 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 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The IUPAC name of 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine (CID 11736727) is 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine.
What is the SMILES notation for 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The canonical SMILES for 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine is CC(C)Cc1ccc([C@@H](C)C2=NCCON2)cc1.
What is the InChIKey of 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The InChIKey is JOJNBBJEYLUPRP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)10-13-4-6-14(7-5-13)12(3)15-16-8-9-18-17-15/h4-7,11-12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine has a molecular weight of 246.35 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-5,6-dihydro-2H-1,2,4-oxadiazine is sourced from PubChem (CID 11736727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).