[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

C18H19ClN4O5 — CID 8601050

IUPAC[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCc2nc(-c3ccccc3Cl)no2)C1=O
InChIInChI=1S/C18H19ClN4O5/c1-3-18(4-2)16(25)23(17(26)21-18)9-14(24)27-10-13-20-15(22-28-13)11-7-5-6-8-12(11)19/h5-8H,3-4,9-10H2,1-2H3,(H,21,26)
InChIKeyKTBNTFSAAWQSQY-UHFFFAOYSA-N
MW406.83 g/mol
LogP2.54
Rot. Bonds7

About [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate

[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (PubChem CID 8601050) has the molecular formula C18H19ClN4O5 and a molecular weight of 406.83 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
PubChem CID8601050
Molecular FormulaC18H19ClN4O5
Molecular Weight406.83 g/mol
Exact Mass406.10
IUPAC Name[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
SMILESCCC1(CC)NC(=O)N(CC(=O)OCc2nc(-c3ccccc3Cl)no2)C1=O
InChIInChI=1S/C18H19ClN4O5/c1-3-18(4-2)16(25)23(17(26)21-18)9-14(24)27-10-13-20-15(22-28-13)11-7-5-6-8-12(11)19/h5-8H,3-4,9-10H2,1-2H3,(H,21,26)
InChIKeyKTBNTFSAAWQSQY-UHFFFAOYSA-N
XLogP2.54
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955413
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691141
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
ethyl 3-(2-chlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 55191222
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
CID 9414870
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691278
[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55401391
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
CID 6492197
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8601130

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The IUPAC name of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate (CID 8601050) is [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate.
What is the SMILES notation for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The canonical SMILES for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is CCC1(CC)NC(=O)N(CC(=O)OCc2nc(-c3ccccc3Cl)no2)C1=O.
What is the InChIKey of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
The InChIKey is KTBNTFSAAWQSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5/c1-3-18(4-2)16(25)23(17(26)21-18)9-14(24)27-10-13-20-15(22-28-13)11-7-5-6-8-12(11)19/h5-8H,3-4,9-10H2,1-2H3,(H,21,26).
What are the key properties of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate?
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate has a molecular weight of 406.83 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate is sourced from PubChem (CID 8601050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).