4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C13H12BrN5O — CID 174493410

IUPAC4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1cc(-c2cccc(Br)c2)nc1-c1nonc1N
InChIInChI=1S/C13H12BrN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyWDTOIZLNISGQLM-UHFFFAOYSA-N
MW334.18 g/mol
LogP2.96
Rot. Bonds3

About 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 174493410) has the molecular formula C13H12BrN5O and a molecular weight of 334.18 g/mol. Its IUPAC name is 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID174493410
Molecular FormulaC13H12BrN5O
Molecular Weight334.18 g/mol
Exact Mass333.02
IUPAC Name4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1cc(-c2cccc(Br)c2)nc1-c1nonc1N
InChIInChI=1S/C13H12BrN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyWDTOIZLNISGQLM-UHFFFAOYSA-N
XLogP2.96
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 174493446
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-(3-bromophenyl)-1-ethyl-N-pyrrolidin-1-ylimidazo[4,5-c]pyridine-7-carboxamide
CID 68900405
2-[[2-(3-bromophenyl)-4-[3-(trifluoromethyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 22969432
1-ethyl-2-[3-[1-ethyl-4-(4-methoxyphenyl)imidazol-2-yl]phenyl]-4-(4-methoxyphenyl)imidazole
CID 118529894
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 114160504
ethyl 6-(3-bromophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 91757030
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
CID 102801823
4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 11615485
3-(3-bromophenyl)-1-propylpyrazol-5-amine
CID 61265517
5-(3-bromophenyl)-2-methyl-3-propan-2-ylimidazol-4-amine
CID 55047681
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
3-(3-bromophenyl)-1-propylpyrazol-4-amine
CID 83222234

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 174493410) is 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CCn1cc(-c2cccc(Br)c2)nc1-c1nonc1N.
What is the InChIKey of 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is WDTOIZLNISGQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5O/c1-2-19-7-10(8-4-3-5-9(14)6-8)16-13(19)11-12(15)18-20-17-11/h3-7H,2H2,1H3,(H2,15,18).
What are the key properties of 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 334.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 174493410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).