3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione

C17H18N4O3 — CID 120863100

IUPAC3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESNC1(c2noc(-c3ccc(CC4CC(=O)NC4=O)cc3)n2)CCC1
InChIInChI=1S/C17H18N4O3/c18-17(6-1-7-17)16-20-15(24-21-16)11-4-2-10(3-5-11)8-12-9-13(22)19-14(12)23/h2-5,12H,1,6-9,18H2,(H,19,22,23)
InChIKeyKLQNXANJOLOGQN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.28
Rot. Bonds4

About 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione

3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione (PubChem CID 120863100) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
PubChem CID120863100
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione
SMILESNC1(c2noc(-c3ccc(CC4CC(=O)NC4=O)cc3)n2)CCC1
InChIInChI=1S/C17H18N4O3/c18-17(6-1-7-17)16-20-15(24-21-16)11-4-2-10(3-5-11)8-12-9-13(22)19-14(12)23/h2-5,12H,1,6-9,18H2,(H,19,22,23)
InChIKeyKLQNXANJOLOGQN-UHFFFAOYSA-N
XLogP1.28
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 120868313
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
1-[5-[4-(phenylsulfanylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862646
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
1-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859325
1-[5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853706
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione (CID 120863100) is 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione is NC1(c2noc(-c3ccc(CC4CC(=O)NC4=O)cc3)n2)CCC1.
What is the InChIKey of 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione?
The InChIKey is KLQNXANJOLOGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-17(6-1-7-17)16-20-15(24-21-16)11-4-2-10(3-5-11)8-12-9-13(22)19-14(12)23/h2-5,12H,1,6-9,18H2,(H,19,22,23).
What are the key properties of 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione?
3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione has a molecular weight of 326.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 120863100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).