3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

C15H20N4O4 — CID 121159876

IUPAC3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1CCC(=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C15H20N4O4/c1-9-12(10(2)23-17-9)3-4-13(20)18-6-5-11(8-18)19-14(21)7-16-15(19)22/h11H,3-8H2,1-2H3,(H,16,22)
InChIKeyPJTFKPFTLMHQKI-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.38
Rot. Bonds4

About 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione

3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159876) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159876
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1CCC(=O)N1CCC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C15H20N4O4/c1-9-12(10(2)23-17-9)3-4-13(20)18-6-5-11(8-18)19-14(21)7-16-15(19)22/h11H,3-8H2,1-2H3,(H,16,22)
InChIKeyPJTFKPFTLMHQKI-UHFFFAOYSA-N
XLogP0.38
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124891839
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
1-[(3R)-3-tert-butylsulfonylpyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 97417122
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 121197474
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
9-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074099
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]propan-1-one
CID 99986731
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209406
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95339825
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159717

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione (CID 121159876) is 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is Cc1noc(C)c1CCC(=O)N1CCC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is PJTFKPFTLMHQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-9-12(10(2)23-17-9)3-4-13(20)18-6-5-11(8-18)19-14(21)7-16-15(19)22/h11H,3-8H2,1-2H3,(H,16,22).
What are the key properties of 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione?
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 320.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).