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

C21H26N6O3 — CID 67096078

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n(C)c1
InChIInChI=1S/C21H26N6O3/c1-13-7-16(24(6)9-13)11-26-20(29)27(19(28)21(26,4)5)17-8-22-25(10-17)12-18-14(2)23-30-15(18)3/h7-10H,11-12H2,1-6H3
InChIKeyLJYZQDWJQNUWBH-UHFFFAOYSA-N
MW410.48 g/mol
LogP2.93
Rot. Bonds5

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 67096078) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID67096078
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n(C)c1
InChIInChI=1S/C21H26N6O3/c1-13-7-16(24(6)9-13)11-26-20(29)27(19(28)21(26,4)5)17-8-22-25(10-17)12-18-14(2)23-30-15(18)3/h7-10H,11-12H2,1-6H3
InChIKeyLJYZQDWJQNUWBH-UHFFFAOYSA-N
XLogP2.93
TPSA89.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 67096078) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(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-[(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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)n(C)c1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is LJYZQDWJQNUWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-13-7-16(24(6)9-13)11-26-20(29)27(19(28)21(26,4)5)17-8-22-25(10-17)12-18-14(2)23-30-15(18)3/h7-10H,11-12H2,1-6H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 410.48 g/mol, XLogP of 2.93, 5 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-[(1,4-dimethylpyrrol-2-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 67096078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).