2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

C10H9Br2N3O — CID 103746510

IUPAC2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(Br)cc2Br)no1
InChIInChI=1S/C10H9Br2N3O/c1-6-14-10(15-16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3
InChIKeyONXCQROVDRVROX-UHFFFAOYSA-N
MW347.01 g/mol
LogP3.52
Rot. Bonds3

About 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline

2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (PubChem CID 103746510) has the molecular formula C10H9Br2N3O and a molecular weight of 347.01 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
PubChem CID103746510
Molecular FormulaC10H9Br2N3O
Molecular Weight347.01 g/mol
Exact Mass344.91
IUPAC Name2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(Br)cc2Br)no1
InChIInChI=1S/C10H9Br2N3O/c1-6-14-10(15-16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3
InChIKeyONXCQROVDRVROX-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.01
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(trifluoromethoxy)aniline
CID 103242797
1-(2,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391621
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
2,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741958
2,3,4-trifluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103742013
2-chloro-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103768023
4-(ethylamino)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzonitrile
CID 75516760
5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]benzoic acid
CID 106402962
3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
1-(3,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078698
2-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 113252882
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The IUPAC name of 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline (CID 103746510) is 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is Cc1nc(CNc2ccc(Br)cc2Br)no1.
What is the InChIKey of 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
The InChIKey is ONXCQROVDRVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2N3O/c1-6-14-10(15-16-6)5-13-9-3-2-7(11)4-8(9)12/h2-4,13H,5H2,1H3.
What are the key properties of 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline?
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline has a molecular weight of 347.01 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline is sourced from PubChem (CID 103746510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).