3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one

C17H12BrN5O2 — CID 139022339

IUPAC3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1
InChIInChI=1S/C17H12BrN5O2/c1-10-8-20-17(24)23(10)13-5-2-11(3-6-13)16-21-15(22-25-16)14-7-4-12(18)9-19-14/h2-9H,1H3,(H,20,24)
InChIKeyMAFSSADMTPANJZ-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.35
Rot. Bonds3

About 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one

3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one (PubChem CID 139022339) has the molecular formula C17H12BrN5O2 and a molecular weight of 398.22 g/mol. Its IUPAC name is 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one
PubChem CID139022339
Molecular FormulaC17H12BrN5O2
Molecular Weight398.22 g/mol
Exact Mass397.02
IUPAC Name3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1
InChIInChI=1S/C17H12BrN5O2/c1-10-8-20-17(24)23(10)13-5-2-11(3-6-13)16-21-15(22-25-16)14-7-4-12(18)9-19-14/h2-9H,1H3,(H,20,24)
InChIKeyMAFSSADMTPANJZ-UHFFFAOYSA-N
XLogP3.35
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one with MolForge

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Related Compounds

3-[4-[5-(5-bromo-4-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 138008097
3-[4-[5-(2-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 167877088
3-[4-[5-(2-fluoro-5-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 138008057
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
3-[4-[5-(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methyl-1H-imidazol-2-one
CID 166213616
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136715466
3-[4-[3-(5,6-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 167833277
3-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117390947
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The IUPAC name of 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one (CID 139022339) is 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(-c2nc(-c3ccc(Br)cn3)no2)cc1.
What is the InChIKey of 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one?
The InChIKey is MAFSSADMTPANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2/c1-10-8-20-17(24)23(10)13-5-2-11(3-6-13)16-21-15(22-25-16)14-7-4-12(18)9-19-14/h2-9H,1H3,(H,20,24).
What are the key properties of 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one?
3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one has a molecular weight of 398.22 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 139022339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).