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

C23H27N5O5 — CID 53374080

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1OC
InChIInChI=1S/C23H27N5O5/c1-14-18(15(2)33-25-14)13-26-12-17(10-24-26)28-21(29)23(3,4)27(22(28)30)11-16-7-8-19(31-5)20(9-16)32-6/h7-10,12H,11,13H2,1-6H3
InChIKeyCSXADPUEKDTMGL-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.30
Rot. Bonds7

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

1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374080) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 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]-5,5-dimethylimidazolidine-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]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID53374080
Molecular FormulaC23H27N5O5
Molecular Weight453.50 g/mol
Exact Mass453.20
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1OC
InChIInChI=1S/C23H27N5O5/c1-14-18(15(2)33-25-14)13-26-12-17(10-24-26)28-21(29)23(3,4)27(22(28)30)11-16-7-8-19(31-5)20(9-16)32-6/h7-10,12H,11,13H2,1-6H3
InChIKeyCSXADPUEKDTMGL-UHFFFAOYSA-N
XLogP3.30
TPSA102.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.30
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]-5,5-dimethylimidazolidine-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]-5,5-dimethylimidazolidine-2,4-dione (CID 53374080) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-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]-5,5-dimethylimidazolidine-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]-5,5-dimethylimidazolidine-2,4-dione is COc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)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]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is CSXADPUEKDTMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-14-18(15(2)33-25-14)13-26-12-17(10-24-26)28-21(29)23(3,4)27(22(28)30)11-16-7-8-19(31-5)20(9-16)32-6/h7-10,12H,11,13H2,1-6H3.
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]-5,5-dimethylimidazolidine-2,4-dione?
1-[(3,4-dimethoxyphenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 453.50 g/mol, XLogP of 3.30, 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]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).