(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

C18H25N4O5+ — CID 6978395

IUPAC(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCOCC4)CC3)C2=O)no1
InChIInChI=1S/C18H24N4O5/c1-12-10-15(19-27-12)22-16(23)11-14(18(22)25)20-4-2-13(3-5-20)17(24)21-6-8-26-9-7-21/h10,13-14H,2-9,11H2,1H3/p+1/t14-/m1/s1
InChIKeyUVZQSPYRCJWGMF-CQSZACIVSA-O
MW377.42 g/mol
LogP-1.23
Rot. Bonds3

About (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione (PubChem CID 6978395) has the molecular formula C18H25N4O5+ and a molecular weight of 377.42 g/mol. Its IUPAC name is (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
PubChem CID6978395
Molecular FormulaC18H25N4O5+
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
SMILESCc1cc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCOCC4)CC3)C2=O)no1
InChIInChI=1S/C18H24N4O5/c1-12-10-15(19-27-12)22-16(23)11-14(18(22)25)20-4-2-13(3-5-20)17(24)21-6-8-26-9-7-21/h10,13-14H,2-9,11H2,1H3/p+1/t14-/m1/s1
InChIKeyUVZQSPYRCJWGMF-CQSZACIVSA-O
XLogP-1.23
TPSA97.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]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

(3R)-3-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 7331352
(3S)-1-(4-chlorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7326000
(3S)-1-ethyl-3-[4-(pyrrolidine-1-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7326041
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 4992663
3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 87048086
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[(1R)-1-phenylethyl]pyrrolidine-2,5-dione
CID 1091344
2-(5-methyl-1,2-oxazol-3-yl)-1-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 136525724
3-(4-methylpiperazine-1,4-diium-1-yl)-1-(4-morpholin-4-ylphenyl)pyrrolidine-2,5-dione
CID 5054251
1-[1-(3-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxylate
CID 4068506
(3S)-1-(2-methylphenyl)-3-morpholin-4-ium-4-ylpyrrolidine-2,5-dione
CID 2689041
N-(5-methyl-1,2-oxazol-3-yl)-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133449
(1S,2R,6S,7S)-4-(5-methyl-1,2-oxazol-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione (CID 6978395) is (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione is Cc1cc(N2C(=O)C[C@@H]([NH+]3CCC(C(=O)N4CCOCC4)CC3)C2=O)no1.
What is the InChIKey of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UVZQSPYRCJWGMF-CQSZACIVSA-O. The full InChI is InChI=1S/C18H24N4O5/c1-12-10-15(19-27-12)22-16(23)11-14(18(22)25)20-4-2-13(3-5-20)17(24)21-6-8-26-9-7-21/h10,13-14H,2-9,11H2,1H3/p+1/t14-/m1/s1.
What are the key properties of (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione has a molecular weight of 377.42 g/mol, XLogP of -1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methyl-1,2-oxazol-3-yl)-3-[4-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6978395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).