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

C20H21N5O4 — CID 57422473

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C20H21N5O4/c1-12-17(13(2)29-23-12)11-24-10-15(9-21-24)25-19(26)18(22-20(25)27)8-14-5-4-6-16(7-14)28-3/h4-7,9-10,18H,8,11H2,1-3H3,(H,22,27)
InChIKeyOVZSNHSWQRRGEI-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.21
Rot. Bonds6

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 57422473) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID57422473
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOc1cccc(CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C20H21N5O4/c1-12-17(13(2)29-23-12)11-24-10-15(9-21-24)25-19(26)18(22-20(25)27)8-14-5-4-6-16(7-14)28-3/h4-7,9-10,18H,8,11H2,1-3H3,(H,22,27)
InChIKeyOVZSNHSWQRRGEI-UHFFFAOYSA-N
XLogP2.21
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 57422473) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]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-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is COc1cccc(CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is OVZSNHSWQRRGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-12-17(13(2)29-23-12)11-24-10-15(9-21-24)25-19(26)18(22-20(25)27)8-14-5-4-6-16(7-14)28-3/h4-7,9-10,18H,8,11H2,1-3H3,(H,22,27).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 395.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 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-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 57422473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).