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

C23H27N5O3 — CID 53374771

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-14-7-8-18(15(2)9-14)11-27-22(30)28(21(29)23(27,5)6)19-10-24-26(12-19)13-20-16(3)25-31-17(20)4/h7-10,12H,11,13H2,1-6H3
InChIKeyBDRLOPWETJBWML-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.90
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374771) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374771
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c(C)c1
InChIInChI=1S/C23H27N5O3/c1-14-7-8-18(15(2)9-14)11-27-22(30)28(21(29)23(27,5)6)19-10-24-26(12-19)13-20-16(3)25-31-17(20)4/h7-10,12H,11,13H2,1-6H3
InChIKeyBDRLOPWETJBWML-UHFFFAOYSA-N
XLogP3.90
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[(2,4-dimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374771) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)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-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c(C)c1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is BDRLOPWETJBWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-14-7-8-18(15(2)9-14)11-27-22(30)28(21(29)23(27,5)6)19-10-24-26(12-19)13-20-16(3)25-31-17(20)4/h7-10,12H,11,13H2,1-6H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 421.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-[(2,4-dimethylphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).