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

C17H20N4O3 — CID 120862748

IUPAC4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(c3nc(C4(N)CCC4)no3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-5-3-12(4-6-13)21-10-11(9-14(21)22)15-19-16(20-24-15)17(18)7-2-8-17/h3-6,11H,2,7-10,18H2,1H3
InChIKeyCACJOOKYFXTMJR-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.94
Rot. Bonds4

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

4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 120862748) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
PubChem CID120862748
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(N2CC(c3nc(C4(N)CCC4)no3)CC2=O)cc1
InChIInChI=1S/C17H20N4O3/c1-23-13-5-3-12(4-6-13)21-10-11(9-14(21)22)15-19-16(20-24-15)17(18)7-2-8-17/h3-6,11H,2,7-10,18H2,1H3
InChIKeyCACJOOKYFXTMJR-UHFFFAOYSA-N
XLogP1.94
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.94
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]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one (CID 120862748) is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(N2CC(c3nc(C4(N)CCC4)no3)CC2=O)cc1.
What is the InChIKey of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is CACJOOKYFXTMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-13-5-3-12(4-6-13)21-10-11(9-14(21)22)15-19-16(20-24-15)17(18)7-2-8-17/h3-6,11H,2,7-10,18H2,1H3.
What are the key properties of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one?
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 1.94, 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]-1-(4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 120862748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).