5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one

C15H11BrCl2N4O2 — CID 170571424

IUPAC5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
SMILESO=c1c(Cl)nc(Br)cn1Cc1nc(CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H11BrCl2N4O2/c16-11-7-22(15(23)14(18)19-11)8-13-20-12(21-24-13)6-3-9-1-4-10(17)5-2-9/h1-2,4-5,7H,3,6,8H2
InChIKeyBEGMCIFLRHIPTR-UHFFFAOYSA-N
MW430.09 g/mol
LogP3.53
Rot. Bonds5

About 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one

5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one (PubChem CID 170571424) has the molecular formula C15H11BrCl2N4O2 and a molecular weight of 430.09 g/mol. Its IUPAC name is 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one.

Molecular Properties

Compound Name5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
PubChem CID170571424
Molecular FormulaC15H11BrCl2N4O2
Molecular Weight430.09 g/mol
Exact Mass427.94
IUPAC Name5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
SMILESO=c1c(Cl)nc(Br)cn1Cc1nc(CCc2ccc(Cl)cc2)no1
InChIInChI=1S/C15H11BrCl2N4O2/c16-11-7-22(15(23)14(18)19-11)8-13-20-12(21-24-13)6-3-9-1-4-10(17)5-2-9/h1-2,4-5,7H,3,6,8H2
InChIKeyBEGMCIFLRHIPTR-UHFFFAOYSA-N
XLogP3.53
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.09
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
CID 170422283
5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 170571458
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128998
methyl 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxopyridine-3-carboxylate
CID 170422246
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazo[5,1-f][1,2,4]triazin-4-one
CID 126752238
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
CID 170571436
6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 126752132
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-iodopyridazin-3-one
CID 169128924
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-7-(methylamino)imidazo[5,1-f][1,2,4]triazin-4-one
CID 126752228
3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[5,1-f][1,2,4]triazine-5-carbonitrile
CID 126752168
5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128922
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methyl-7-oxopyrazolo[4,5-d]pyrimidine-3-carbonitrile
CID 134555058

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one?
The IUPAC name of 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one (CID 170571424) is 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one.
What is the SMILES notation for 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one?
The canonical SMILES for 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one is O=c1c(Cl)nc(Br)cn1Cc1nc(CCc2ccc(Cl)cc2)no1.
What is the InChIKey of 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one?
The InChIKey is BEGMCIFLRHIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N4O2/c16-11-7-22(15(23)14(18)19-11)8-13-20-12(21-24-13)6-3-9-1-4-10(17)5-2-9/h1-2,4-5,7H,3,6,8H2.
What are the key properties of 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one?
5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one has a molecular weight of 430.09 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one is sourced from PubChem (CID 170571424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).