1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one

C19H18ClN3O2 — CID 170571436

IUPAC1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
SMILESC=Cc1ccn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1C
InChIInChI=1S/C19H18ClN3O2/c1-3-15-10-11-23(19(24)13(15)2)12-18-21-17(22-25-18)9-6-14-4-7-16(20)8-5-14/h3-5,7-8,10-11H,1,6,9,12H2,2H3
InChIKeyDBQZJKMCPFTQEJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.67
Rot. Bonds6

About 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one

1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one (PubChem CID 170571436) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
PubChem CID170571436
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one
SMILESC=Cc1ccn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1C
InChIInChI=1S/C19H18ClN3O2/c1-3-15-10-11-23(19(24)13(15)2)12-18-21-17(22-25-18)9-6-14-4-7-16(20)8-5-14/h3-5,7-8,10-11H,1,6,9,12H2,2H3
InChIKeyDBQZJKMCPFTQEJ-UHFFFAOYSA-N
XLogP3.67
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one?
The IUPAC name of 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one (CID 170571436) is 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one.
What is the SMILES notation for 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one?
The canonical SMILES for 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one is C=Cc1ccn(Cc2nc(CCc3ccc(Cl)cc3)no2)c(=O)c1C.
What is the InChIKey of 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one?
The InChIKey is DBQZJKMCPFTQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-3-15-10-11-23(19(24)13(15)2)12-18-21-17(22-25-18)9-6-14-4-7-16(20)8-5-14/h3-5,7-8,10-11H,1,6,9,12H2,2H3.
What are the key properties of 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one?
1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one has a molecular weight of 355.83 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-4-ethenyl-3-methylpyridin-2-one is sourced from PubChem (CID 170571436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).