2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide

C23H26N6O4 — CID 71029805

IUPAC2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide
SMILESCCc1cccc(CNC(=O)CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C23H26N6O4/c1-4-16-6-5-7-17(8-16)10-24-21(30)9-20-22(31)29(23(32)26-20)18-11-25-28(12-18)13-19-14(2)27-33-15(19)3/h5-8,11-12,20H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,32)
InChIKeyGBQXDVLUMUCHNB-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.23
Rot. Bonds8

About 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide

2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide (PubChem CID 71029805) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide
PubChem CID71029805
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide
SMILESCCc1cccc(CNC(=O)CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
InChIInChI=1S/C23H26N6O4/c1-4-16-6-5-7-17(8-16)10-24-21(30)9-20-22(31)29(23(32)26-20)18-11-25-28(12-18)13-19-14(2)27-33-15(19)3/h5-8,11-12,20H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,32)
InChIKeyGBQXDVLUMUCHNB-UHFFFAOYSA-N
XLogP2.23
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
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 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide (CID 71029805) is 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide is CCc1cccc(CNC(=O)CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1.
What is the InChIKey of 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide?
The InChIKey is GBQXDVLUMUCHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-4-16-6-5-7-17(8-16)10-24-21(30)9-20-22(31)29(23(32)26-20)18-11-25-28(12-18)13-19-14(2)27-33-15(19)3/h5-8,11-12,20H,4,9-10,13H2,1-3H3,(H,24,30)(H,26,32).
What are the key properties of 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide?
2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 71029805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).