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

C20H22N6O3 — CID 53374283

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccn3)C(C)(C)C2=O)cn1
InChIInChI=1S/C20H22N6O3/c1-13-17(14(2)29-23-13)12-24-11-16(9-22-24)26-18(27)20(3,4)25(19(26)28)10-15-7-5-6-8-21-15/h5-9,11H,10,12H2,1-4H3
InChIKeyIWVCSZJLGRGGDE-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.68
Rot. Bonds5

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 53374283) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID53374283
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccn3)C(C)(C)C2=O)cn1
InChIInChI=1S/C20H22N6O3/c1-13-17(14(2)29-23-13)12-24-11-16(9-22-24)26-18(27)20(3,4)25(19(26)28)10-15-7-5-6-8-21-15/h5-9,11H,10,12H2,1-4H3
InChIKeyIWVCSZJLGRGGDE-UHFFFAOYSA-N
XLogP2.68
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.68
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]-5,5-dimethyl-1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 53374283) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)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-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccccn3)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-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is IWVCSZJLGRGGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-13-17(14(2)29-23-13)12-24-11-16(9-22-24)26-18(27)20(3,4)25(19(26)28)10-15-7-5-6-8-21-15/h5-9,11H,10,12H2,1-4H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 394.44 g/mol, XLogP of 2.68, 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]-5,5-dimethyl-1-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 53374283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).