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

C21H24N6O4 — CID 53374188

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)nc1
InChIInChI=1S/C21H24N6O4/c1-13-18(14(2)31-24-13)12-25-11-16(8-23-25)27-19(28)21(3,4)26(20(27)29)10-15-6-7-17(30-5)9-22-15/h6-9,11H,10,12H2,1-5H3
InChIKeyKHYLLRMLNOQZBX-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.69
Rot. Bonds6

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374188) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374188
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)nc1
InChIInChI=1S/C21H24N6O4/c1-13-18(14(2)31-24-13)12-25-11-16(8-23-25)27-19(28)21(3,4)26(20(27)29)10-15-6-7-17(30-5)9-22-15/h6-9,11H,10,12H2,1-5H3
InChIKeyKHYLLRMLNOQZBX-UHFFFAOYSA-N
XLogP2.69
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.69
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-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374188) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)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-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)nc1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KHYLLRMLNOQZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-13-18(14(2)31-24-13)12-25-11-16(8-23-25)27-19(28)21(3,4)26(20(27)29)10-15-6-7-17(30-5)9-22-15/h6-9,11H,10,12H2,1-5H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 424.46 g/mol, XLogP of 2.69, 6 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-[(5-methoxy-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).