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

C18H21N7O3 — CID 57422494

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)n(C)n1
InChIInChI=1S/C18H21N7O3/c1-11-5-14(22(4)20-11)7-23-10-17(26)25(18(23)27)15-6-19-24(8-15)9-16-12(2)21-28-13(16)3/h5-6,8H,7,9-10H2,1-4H3
InChIKeyOFZGBITWRBELBF-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.55
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 57422494) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID57422494
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCc1cc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)n(C)n1
InChIInChI=1S/C18H21N7O3/c1-11-5-14(22(4)20-11)7-23-10-17(26)25(18(23)27)15-6-19-24(8-15)9-16-12(2)21-28-13(16)3/h5-6,8H,7,9-10H2,1-4H3
InChIKeyOFZGBITWRBELBF-UHFFFAOYSA-N
XLogP1.55
TPSA102.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.55
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-[(2,5-dimethylpyrazol-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]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione (CID 57422494) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-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]-1-[(2,5-dimethylpyrazol-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]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is Cc1cc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)n(C)n1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is OFZGBITWRBELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-11-5-14(22(4)20-11)7-23-10-17(26)25(18(23)27)15-6-19-24(8-15)9-16-12(2)21-28-13(16)3/h5-6,8H,7,9-10H2,1-4H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 383.41 g/mol, XLogP of 1.55, 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-[(2,5-dimethylpyrazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).