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

C21H23N5O5 — CID 57422456

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)cc1OC
InChIInChI=1S/C21H23N5O5/c1-13-17(14(2)31-23-13)11-25-10-16(8-22-25)26-20(27)12-24(21(26)28)9-15-5-6-18(29-3)19(7-15)30-4/h5-8,10H,9,11-12H2,1-4H3
InChIKeyIJHIXTJOTUWRDT-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.52
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (PubChem CID 57422456) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
PubChem CID57422456
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)cc1OC
InChIInChI=1S/C21H23N5O5/c1-13-17(14(2)31-23-13)11-25-10-16(8-22-25)26-20(27)12-24(21(26)28)9-15-5-6-18(29-3)19(7-15)30-4/h5-8,10H,9,11-12H2,1-4H3
InChIKeyIJHIXTJOTUWRDT-UHFFFAOYSA-N
XLogP2.52
TPSA102.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.52
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 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione (CID 57422456) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is COc1ccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
The InChIKey is IJHIXTJOTUWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-13-17(14(2)31-23-13)11-25-10-16(8-22-25)26-20(27)12-24(21(26)28)9-15-5-6-18(29-3)19(7-15)30-4/h5-8,10H,9,11-12H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione?
1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione has a molecular weight of 425.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).