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

C23H27N5O4 — CID 53373640

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1
InChIInChI=1S/C23H27N5O4/c1-15-20(16(2)32-25-15)14-26-13-18(12-24-26)28-21(29)23(3,4)27(22(28)30)11-10-17-6-8-19(31-5)9-7-17/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyQUGNGDFRBONTSV-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.33
Rot. Bonds7

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53373640) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53373640
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1
InChIInChI=1S/C23H27N5O4/c1-15-20(16(2)32-25-15)14-26-13-18(12-24-26)28-21(29)23(3,4)27(22(28)30)11-10-17-6-8-19(31-5)9-7-17/h6-9,12-13H,10-11,14H2,1-5H3
InChIKeyQUGNGDFRBONTSV-UHFFFAOYSA-N
XLogP3.33
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.33
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]-1-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53373640) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-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-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QUGNGDFRBONTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-20(16(2)32-25-15)14-26-13-18(12-24-26)28-21(29)23(3,4)27(22(28)30)11-10-17-6-8-19(31-5)9-7-17/h6-9,12-13H,10-11,14H2,1-5H3.
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 3.33, 7 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]-1-[2-(4-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53373640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).