4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one

C18H22N4O3 — CID 120860826

IUPAC4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C2C(c3nc(C4(N)CCC4)no3)CC(=O)N2C)cc1
InChIInChI=1S/C18H22N4O3/c1-22-14(23)10-13(15(22)11-4-6-12(24-2)7-5-11)16-20-17(21-25-16)18(19)8-3-9-18/h4-7,13,15H,3,8-10,19H2,1-2H3
InChIKeyOWECIUVIXURTKO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.10
Rot. Bonds4

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

4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one (PubChem CID 120860826) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
PubChem CID120860826
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
SMILESCOc1ccc(C2C(c3nc(C4(N)CCC4)no3)CC(=O)N2C)cc1
InChIInChI=1S/C18H22N4O3/c1-22-14(23)10-13(15(22)11-4-6-12(24-2)7-5-11)16-20-17(21-25-16)18(19)8-3-9-18/h4-7,13,15H,3,8-10,19H2,1-2H3
InChIKeyOWECIUVIXURTKO-UHFFFAOYSA-N
XLogP2.10
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one (CID 120860826) is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one is COc1ccc(C2C(c3nc(C4(N)CCC4)no3)CC(=O)N2C)cc1.
What is the InChIKey of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
The InChIKey is OWECIUVIXURTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-22-14(23)10-13(15(22)11-4-6-12(24-2)7-5-11)16-20-17(21-25-16)18(19)8-3-9-18/h4-7,13,15H,3,8-10,19H2,1-2H3.
What are the key properties of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one?
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-5-(4-methoxyphenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 120860826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).