5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

C18H16N4O3S — CID 51227984

IUPAC5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccs3)no2)C1=O
InChIInChI=1S/C18H16N4O3S/c1-2-18(12-7-4-3-5-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-9-6-10-26-13/h3-10H,2,11H2,1H3,(H,20,24)
InChIKeySMYUDDRBEDZVIP-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.16
Rot. Bonds5

About 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione

5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (PubChem CID 51227984) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
PubChem CID51227984
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
SMILESCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccs3)no2)C1=O
InChIInChI=1S/C18H16N4O3S/c1-2-18(12-7-4-3-5-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-9-6-10-26-13/h3-10H,2,11H2,1H3,(H,20,24)
InChIKeySMYUDDRBEDZVIP-UHFFFAOYSA-N
XLogP3.16
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)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

Related Compounds

(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999
5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 18166881
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
(5R)-3-[(2,5-dimethylphenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7179608
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55412063
5-ethyl-5-phenyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529154
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 92786992
(5S)-5-ethyl-5-phenyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 7242796
5-methyl-5-(3-nitrophenyl)-3-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]imidazolidine-2,4-dione
CID 86992192

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione (CID 51227984) is 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is CCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3cccs3)no2)C1=O.
What is the InChIKey of 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is SMYUDDRBEDZVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-2-18(12-7-4-3-5-8-12)16(23)22(17(24)20-18)11-14-19-15(21-25-14)13-9-6-10-26-13/h3-10H,2,11H2,1H3,(H,20,24).
What are the key properties of 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione?
5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 368.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51227984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).