N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

C12H14Br2N4O — CID 106966965

IUPACN-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2c(Br)cc(C)cc2Br)o1
InChIInChI=1S/C12H14Br2N4O/c1-6-4-8(13)10(9(14)5-6)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18)
InChIKeyFENUIFPEJSPMPT-UHFFFAOYSA-N
MW390.08 g/mol
LogP3.93
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966965) has the molecular formula C12H14Br2N4O and a molecular weight of 390.08 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966965
Molecular FormulaC12H14Br2N4O
Molecular Weight390.08 g/mol
Exact Mass387.95
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2c(Br)cc(C)cc2Br)o1
InChIInChI=1S/C12H14Br2N4O/c1-6-4-8(13)10(9(14)5-6)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18)
InChIKeyFENUIFPEJSPMPT-UHFFFAOYSA-N
XLogP3.93
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106966965) is N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2c(Br)cc(C)cc2Br)o1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is FENUIFPEJSPMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4O/c1-6-4-8(13)10(9(14)5-6)16-12-18-17-11(19-12)7(2)15-3/h4-5,7,15H,1-3H3,(H,16,18).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 390.08 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).