5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione

C18H21N3O4 — CID 18275324

IUPAC5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2coc(-c3ccc(OC)cc3)n2)C1=O
InChIInChI=1S/C18H21N3O4/c1-4-18(5-2)16(22)21(17(23)20-18)10-13-11-25-15(19-13)12-6-8-14(24-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyLRPONYUXTHZRFE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.96
Rot. Bonds6

About 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione

5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 18275324) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID18275324
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2coc(-c3ccc(OC)cc3)n2)C1=O
InChIInChI=1S/C18H21N3O4/c1-4-18(5-2)16(22)21(17(23)20-18)10-13-11-25-15(19-13)12-6-8-14(24-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)
InChIKeyLRPONYUXTHZRFE-UHFFFAOYSA-N
XLogP2.96
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

8-ethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18207948
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280
(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 52530084
5,5-diphenyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 29336701
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31688665
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41023001
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylbenzimidazol-2-one
CID 18290993
4-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 47281616
2-(4-methoxyphenyl)-4-(triazol-1-ylmethyl)-1,3-oxazole
CID 69424980
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-phenyltetrazol-5-one
CID 18288236

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione (CID 18275324) is 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2coc(-c3ccc(OC)cc3)n2)C1=O.
What is the InChIKey of 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is LRPONYUXTHZRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-18(5-2)16(22)21(17(23)20-18)10-13-11-25-15(19-13)12-6-8-14(24-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,23).
What are the key properties of 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione?
5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 343.38 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 18275324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).