5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C10H11BrN4O — CID 116799524

IUPAC5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cc(Br)ccc2N)n1
InChIInChI=1S/C10H11BrN4O/c1-15(2)10-13-9(16-14-10)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3
InChIKeyNLORXDXQDFNURQ-UHFFFAOYSA-N
MW283.13 g/mol
LogP2.15
Rot. Bonds2

About 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116799524) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID116799524
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cc(Br)ccc2N)n1
InChIInChI=1S/C10H11BrN4O/c1-15(2)10-13-9(16-14-10)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3
InChIKeyNLORXDXQDFNURQ-UHFFFAOYSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
4-bromo-2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 63718145
4-bromo-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65400419
4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109
4-bromo-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65131124
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-bromoaniline
CID 62073830
4-bromo-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62072815
4-bromo-2-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702036
4-bromo-2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116701438
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747822

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 116799524) is 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2cc(Br)ccc2N)n1.
What is the InChIKey of 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is NLORXDXQDFNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c1-15(2)10-13-9(16-14-10)7-5-6(11)3-4-8(7)12/h3-5H,12H2,1-2H3.
What are the key properties of 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 283.13 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).