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

C20H25N7O3 — CID 53373741

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cc(C)n(C)n3)C(C)(C)C2=O)cn1
InChIInChI=1S/C20H25N7O3/c1-12-7-15(22-24(12)6)9-26-19(29)27(18(28)20(26,4)5)16-8-21-25(10-16)11-17-13(2)23-30-14(17)3/h7-8,10H,9,11H2,1-6H3
InChIKeyIUSXKDBUFAVJQW-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.33
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53373741) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-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-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53373741
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cc(C)n(C)n3)C(C)(C)C2=O)cn1
InChIInChI=1S/C20H25N7O3/c1-12-7-15(22-24(12)6)9-26-19(29)27(18(28)20(26,4)5)16-8-21-25(10-16)11-17-13(2)23-30-14(17)3/h7-8,10H,9,11H2,1-6H3
InChIKeyIUSXKDBUFAVJQW-UHFFFAOYSA-N
XLogP2.33
TPSA102.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[(1,5-dimethylpyrazol-3-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-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53373741) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-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-[(1,5-dimethylpyrazol-3-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-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cc(C)n(C)n3)C(C)(C)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is IUSXKDBUFAVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-12-7-15(22-24(12)6)9-26-19(29)27(18(28)20(26,4)5)16-8-21-25(10-16)11-17-13(2)23-30-14(17)3/h7-8,10H,9,11H2,1-6H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 411.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 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-[(1,5-dimethylpyrazol-3-yl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53373741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).