4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C11H8BrN5O2 — CID 107915252

IUPAC4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2noc(-c3nonc3N)n2)c(Br)c1
InChIInChI=1S/C11H8BrN5O2/c1-5-2-3-6(7(12)4-5)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16)
InChIKeyMROATMDUKLXOFM-UHFFFAOYSA-N
MW322.12 g/mol
LogP2.44
Rot. Bonds2

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

4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 107915252) has the molecular formula C11H8BrN5O2 and a molecular weight of 322.12 g/mol. Its IUPAC name is 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID107915252
Molecular FormulaC11H8BrN5O2
Molecular Weight322.12 g/mol
Exact Mass320.99
IUPAC Name4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1ccc(-c2noc(-c3nonc3N)n2)c(Br)c1
InChIInChI=1S/C11H8BrN5O2/c1-5-2-3-6(7(12)4-5)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16)
InChIKeyMROATMDUKLXOFM-UHFFFAOYSA-N
XLogP2.44
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-5-amine
CID 136827856
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107915089
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 114015423
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
4-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 106950682
(1S)-1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107915239
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104881068
3-(2-bromo-4-methylphenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 107915493
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104881067
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 114015506
[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-(1-methylpyrazol-4-yl)methanamine
CID 107915209
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 107915252) is 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Cc1ccc(-c2noc(-c3nonc3N)n2)c(Br)c1.
What is the InChIKey of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is MROATMDUKLXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O2/c1-5-2-3-6(7(12)4-5)10-14-11(18-17-10)8-9(13)16-19-15-8/h2-4H,1H3,(H2,13,16).
What are the key properties of 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 322.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 107915252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).