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

C17H19N3O4 — CID 9060380

IUPAC(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(C)on2)C1=O
InChIInChI=1S/C17H19N3O4/c1-4-17(12-5-7-14(23-3)8-6-12)15(21)20(16(22)18-17)10-13-9-11(2)24-19-13/h5-9H,4,10H2,1-3H3,(H,18,22)/t17-/m1/s1
InChIKeyCPWQROURKKXLRE-QGZVFWFLSA-N
MW329.36 g/mol
LogP2.35
Rot. Bonds5

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

(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (PubChem CID 9060380) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
PubChem CID9060380
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
SMILESCC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(C)on2)C1=O
InChIInChI=1S/C17H19N3O4/c1-4-17(12-5-7-14(23-3)8-6-12)15(21)20(16(22)18-17)10-13-9-11(2)24-19-13/h5-9H,4,10H2,1-3H3,(H,18,22)/t17-/m1/s1
InChIKeyCPWQROURKKXLRE-QGZVFWFLSA-N
XLogP2.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17449465
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 52530084
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595658
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(4-propan-2-ylphenyl)methyl]imidazolidine-2,4-dione
CID 7595657
(5S)-3-[(4-bromo-2-fluorophenyl)methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 41307521
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
3-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148239
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7802364

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione (CID 9060380) is (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is CC[C@]1(c2ccc(OC)cc2)NC(=O)N(Cc2cc(C)on2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is CPWQROURKKXLRE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-4-17(12-5-7-14(23-3)8-6-12)15(21)20(16(22)18-17)10-13-9-11(2)24-19-13/h5-9H,4,10H2,1-3H3,(H,18,22)/t17-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione?
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 329.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9060380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).