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

C22H20ClN3O4 — CID 52530084

IUPAC(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2coc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C22H20ClN3O4/c1-3-22(14-8-10-16(29-2)11-9-14)20(27)26(21(28)25-22)12-15-13-30-19(24-15)17-6-4-5-7-18(17)23/h4-11,13H,3,12H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyIPJDUKHTIGZWIA-QFIPXVFZSA-N
MW425.87 g/mol
LogP4.36
Rot. Bonds6

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

(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (PubChem CID 52530084) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
PubChem CID52530084
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2coc(-c3ccccc3Cl)n2)C1=O
InChIInChI=1S/C22H20ClN3O4/c1-3-22(14-8-10-16(29-2)11-9-14)20(27)26(21(28)25-22)12-15-13-30-19(24-15)17-6-4-5-7-18(17)23/h4-11,13H,3,12H2,1-2H3,(H,25,28)/t22-/m0/s1
InChIKeyIPJDUKHTIGZWIA-QFIPXVFZSA-N
XLogP4.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.36
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

5-ethyl-5-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 16577306
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4-dione
CID 9060380
(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
5,5-diethyl-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 18275324
(5R)-5-ethyl-5-(4-methoxyphenyl)-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 7595682
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[(2-phenoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7595683
(5S)-3-[(3,4-dichlorophenyl)methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 7242730
(5R)-3-(1,3-benzothiazol-2-ylmethyl)-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7802364
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
(5R)-5-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595608
(5R)-3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 96528280

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione (CID 52530084) is (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(Cc2coc(-c3ccccc3Cl)n2)C1=O.
What is the InChIKey of (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is IPJDUKHTIGZWIA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-3-22(14-8-10-16(29-2)11-9-14)20(27)26(21(28)25-22)12-15-13-30-19(24-15)17-6-4-5-7-18(17)23/h4-11,13H,3,12H2,1-2H3,(H,25,28)/t22-/m0/s1.
What are the key properties of (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione?
(5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 425.87 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 52530084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).