2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline

C12H12Cl2N4O2 — CID 116807469

IUPAC2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cc(-c2nc(N3CCOCC3)no2)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-5-7(6-9(14)10(8)15)11-16-12(17-20-11)18-1-3-19-4-2-18/h5-6H,1-4,15H2
InChIKeyMYPIAELHLCEKJY-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.46
Rot. Bonds2

About 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline

2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 116807469) has the molecular formula C12H12Cl2N4O2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID116807469
Molecular FormulaC12H12Cl2N4O2
Molecular Weight315.16 g/mol
Exact Mass314.03
IUPAC Name2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cc(-c2nc(N3CCOCC3)no2)cc1Cl
InChIInChI=1S/C12H12Cl2N4O2/c13-8-5-7(6-9(14)10(8)15)11-16-12(17-20-11)18-1-3-19-4-2-18/h5-6H,1-4,15H2
InChIKeyMYPIAELHLCEKJY-UHFFFAOYSA-N
XLogP2.46
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline (CID 116807469) is 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is Nc1c(Cl)cc(-c2nc(N3CCOCC3)no2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is MYPIAELHLCEKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O2/c13-8-5-7(6-9(14)10(8)15)11-16-12(17-20-11)18-1-3-19-4-2-18/h5-6H,1-4,15H2.
What are the key properties of 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline?
2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 315.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 116807469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).