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

C19H23N7O3 — CID 53374475

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccn(C)n3)C(C)(C)C2=O)cn1
InChIInChI=1S/C19H23N7O3/c1-12-16(13(2)29-22-12)11-24-10-15(8-20-24)26-17(27)19(3,4)25(18(26)28)9-14-6-7-23(5)21-14/h6-8,10H,9,11H2,1-5H3
InChIKeyIYWDDBRDGZKNEM-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.02
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 53374475) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID53374475
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccn(C)n3)C(C)(C)C2=O)cn1
InChIInChI=1S/C19H23N7O3/c1-12-16(13(2)29-22-12)11-24-10-15(8-20-24)26-17(27)19(3,4)25(18(26)28)9-14-6-7-23(5)21-14/h6-8,10H,9,11H2,1-5H3
InChIKeyIYWDDBRDGZKNEM-UHFFFAOYSA-N
XLogP2.02
TPSA102.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione with MolForge

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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]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 53374475) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccn(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]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is IYWDDBRDGZKNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-12-16(13(2)29-22-12)11-24-10-15(8-20-24)26-17(27)19(3,4)25(18(26)28)9-14-6-7-23(5)21-14/h6-8,10H,9,11H2,1-5H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 397.44 g/mol, XLogP of 2.02, 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]-5,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 53374475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).