2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole

C15H14Cl2N2O — CID 46228720

IUPAC2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole
SMILESCc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N2O/c1-8-6-20-14(19-8)13-10-5-18-7-15(10,13)9-2-3-11(16)12(17)4-9/h2-4,6,10,13,18H,5,7H2,1H3/t10-,13+,15+/m0/s1
InChIKeyCXJYZDWEGFRWPU-PSOPSSQASA-N
MW309.20 g/mol
LogP3.54
Rot. Bonds2

About 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole

2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole (PubChem CID 46228720) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole
PubChem CID46228720
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole
SMILESCc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H14Cl2N2O/c1-8-6-20-14(19-8)13-10-5-18-7-15(10,13)9-2-3-11(16)12(17)4-9/h2-4,6,10,13,18H,5,7H2,1H3/t10-,13+,15+/m0/s1
InChIKeyCXJYZDWEGFRWPU-PSOPSSQASA-N
XLogP3.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole 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 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole (CID 46228720) is 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole is Cc1coc([C@H]2[C@@H]3CNC[C@@]32c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole?
The InChIKey is CXJYZDWEGFRWPU-PSOPSSQASA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-8-6-20-14(19-8)13-10-5-18-7-15(10,13)9-2-3-11(16)12(17)4-9/h2-4,6,10,13,18H,5,7H2,1H3/t10-,13+,15+/m0/s1.
What are the key properties of 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole?
2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole has a molecular weight of 309.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 46228720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).