4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one

C19H16ClN3O3 — CID 16955951

IUPAC4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-25-16-7-5-15(6-8-16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-3-2-4-14(20)9-12/h2-9,13H,10-11H2,1H3
InChIKeyYPFJBDRTBYDSSQ-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.92
Rot. Bonds4

About 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one

4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 16955951) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID16955951
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1
InChIInChI=1S/C19H16ClN3O3/c1-25-16-7-5-15(6-8-16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-3-2-4-14(20)9-12/h2-9,13H,10-11H2,1H3
InChIKeyYPFJBDRTBYDSSQ-UHFFFAOYSA-N
XLogP3.92
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 16955951) is 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(c3nc(-c4cccc(Cl)c4)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is YPFJBDRTBYDSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-25-16-7-5-15(6-8-16)23-11-13(10-17(23)24)19-21-18(22-26-19)12-3-2-4-14(20)9-12/h2-9,13H,10-11H2,1H3.
What are the key properties of 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 369.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 16955951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).