5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one

C16H14Cl2N4O2 — CID 170571458

IUPAC5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-10-15(18)16(23)22(9-19-10)8-14-20-13(21-24-14)7-4-11-2-5-12(17)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyLRZWBELZBUSHNG-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.08
Rot. Bonds5

About 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one

5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one (PubChem CID 170571458) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
PubChem CID170571458
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
SMILESCc1ncn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-10-15(18)16(23)22(9-19-10)8-14-20-13(21-24-14)7-4-11-2-5-12(17)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyLRZWBELZBUSHNG-UHFFFAOYSA-N
XLogP3.08
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
6-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyltriazolo[4,5-d]pyrimidin-7-one
CID 126752132
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
5-bromo-3-chloro-1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazin-2-one
CID 170571424
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
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
CID 170571436
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128998
2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
CID 170422283
4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-iodopyridazin-3-one
CID 169128924
3-[[5-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 127032772
methyl 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxopyridine-3-carboxylate
CID 170422246
5-(aminomethyl)-4-chloro-2-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 169128922

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one?
The IUPAC name of 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one (CID 170571458) is 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one is Cc1ncn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1Cl.
What is the InChIKey of 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one?
The InChIKey is LRZWBELZBUSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-10-15(18)16(23)22(9-19-10)8-14-20-13(21-24-14)7-4-11-2-5-12(17)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one?
5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one has a molecular weight of 365.22 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 170571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).