2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

C21H18FN5O4 — CID 55700566

IUPAC2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C21H18FN5O4/c1-12-23-18(26-31-12)15-5-3-4-6-16(15)24-17(28)11-27-19(29)21(2,25-20(27)30)13-7-9-14(22)10-8-13/h3-10H,11H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyQASNKBIPHJRPRO-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.59
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide

2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (PubChem CID 55700566) has the molecular formula C21H18FN5O4 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
PubChem CID55700566
Molecular FormulaC21H18FN5O4
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC Name2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2ccccc2NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)no1
InChIInChI=1S/C21H18FN5O4/c1-12-23-18(26-31-12)15-5-3-4-6-16(15)24-17(28)11-27-19(29)21(2,25-20(27)30)13-7-9-14(22)10-8-13/h3-10H,11H2,1-2H3,(H,24,28)(H,25,30)
InChIKeyQASNKBIPHJRPRO-UHFFFAOYSA-N
XLogP2.59
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide (CID 55700566) is 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is Cc1nc(-c2ccccc2NC(=O)CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)no1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
The InChIKey is QASNKBIPHJRPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4/c1-12-23-18(26-31-12)15-5-3-4-6-16(15)24-17(28)11-27-19(29)21(2,25-20(27)30)13-7-9-14(22)10-8-13/h3-10H,11H2,1-2H3,(H,24,28)(H,25,30).
What are the key properties of 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide?
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide has a molecular weight of 423.40 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 55700566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).