1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione

C12H17N3O3 — CID 43638134

IUPAC1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(C)on2)C1=O
InChIInChI=1S/C12H17N3O3/c1-4-7(2)15-11(16)6-9(12(15)17)13-10-5-8(3)18-14-10/h5,7,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyULHRVRNNLFDPNB-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.32
Rot. Bonds4

About 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione (PubChem CID 43638134) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
PubChem CID43638134
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2cc(C)on2)C1=O
InChIInChI=1S/C12H17N3O3/c1-4-7(2)15-11(16)6-9(12(15)17)13-10-5-8(3)18-14-10/h5,7,9H,4,6H2,1-3H3,(H,13,14)
InChIKeyULHRVRNNLFDPNB-UHFFFAOYSA-N
XLogP1.32
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]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

1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
1-butan-2-yl-3-[(6-methyl-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 62997074
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107598669
1-butan-2-yl-3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 61192882
1-butan-2-yl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 62117125

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione (CID 43638134) is 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2cc(C)on2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is ULHRVRNNLFDPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-7(2)15-11(16)6-9(12(15)17)13-10-5-8(3)18-14-10/h5,7,9H,4,6H2,1-3H3,(H,13,14).
What are the key properties of 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 251.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(5-methyl-1,2-oxazol-3-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 43638134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).