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

C19H23N5O4 — CID 47054946

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1
InChIInChI=1S/C19H23N5O4/c1-12(2)18-22-16(28-23-18)8-4-7-15(25)21-14-6-3-5-13(9-14)11-24-17(26)10-20-19(24)27/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,20,27)(H,21,25)
InChIKeyXAUQMDCWTWIIMT-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.21
Rot. Bonds8

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

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 47054946) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID47054946
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)c1noc(CCCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1
InChIInChI=1S/C19H23N5O4/c1-12(2)18-22-16(28-23-18)8-4-7-15(25)21-14-6-3-5-13(9-14)11-24-17(26)10-20-19(24)27/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,20,27)(H,21,25)
InChIKeyXAUQMDCWTWIIMT-UHFFFAOYSA-N
XLogP2.21
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-(4-propan-2-ylphenyl)propanamide
CID 55853093
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 37055107
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 119288680
3-(5-chlorothiophen-2-yl)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]propanamide
CID 47054951
(2S)-2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119288695
N,N-dimethyl-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]benzamide
CID 38817806
2-(2,6-dimethylphenoxy)-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]acetamide
CID 55617163
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(3-pyrazol-1-ylphenyl)butanamide
CID 55766144
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]butanamide
CID 38009290
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 55664000
3,3-dicyclopropyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]prop-2-enamide
CID 71889492
N-[4-(dimethylsulfamoyl)phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47029394

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 47054946) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is CC(C)c1noc(CCCC(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is XAUQMDCWTWIIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-12(2)18-22-16(28-23-18)8-4-7-15(25)21-14-6-3-5-13(9-14)11-24-17(26)10-20-19(24)27/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3,(H,20,27)(H,21,25).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 385.42 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 47054946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).