3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C23H30N6O3 — CID 123230584

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1c(C)cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n1C
InChIInChI=1S/C23H30N6O3/c1-8-20-14(2)9-17(26(20)7)12-28-22(31)29(21(30)23(28,5)6)18-10-24-27(11-18)13-19-15(3)25-32-16(19)4/h9-11H,8,12-13H2,1-7H3
InChIKeyYPPPWRWLESOMHE-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.49
Rot. Bonds6

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 123230584) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID123230584
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCCc1c(C)cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n1C
InChIInChI=1S/C23H30N6O3/c1-8-20-14(2)9-17(26(20)7)12-28-22(31)29(21(30)23(28,5)6)18-10-24-27(11-18)13-19-15(3)25-32-16(19)4/h9-11H,8,12-13H2,1-7H3
InChIKeyYPPPWRWLESOMHE-UHFFFAOYSA-N
XLogP3.49
TPSA89.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-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-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-imidazolidine-2,4-dione
CID 57422431
3-(1-((3,5-Dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(3-hydroxybenzyl)-5,5-dimethylimidazolidine-2,4-dione
CID 53374958
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)urea
CID 57422420
3-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)-N-methylbenzamide
CID 57422430
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-hydroxybenzyl)imidazolidine-2,4-dione
CID 57422432
3-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
CID 57422433
2-((3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2,4-dioxoimidazolidin-1-yl)methyl)benzonitrile
CID 57422441
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-methylbenzyl)imidazolidine-2,4-dione
CID 57422442
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(2-fluorobenzyl)imidazolidine-2,4-dione
CID 57422443
3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 57422472
1-benzyl-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidin-2-one
CID 57422491
1-((1,3-dimethyl-1H-pyrazol-5-yl)methyl)-3-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)imidazolidine-2,4-dione
CID 57422494

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 123230584) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is CCc1c(C)cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n1C.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is YPPPWRWLESOMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-8-20-14(2)9-17(26(20)7)12-28-22(31)29(21(30)23(28,5)6)18-10-24-27(11-18)13-19-15(3)25-32-16(19)4/h9-11H,8,12-13H2,1-7H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 438.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-ethyl-1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 123230584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).