5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione

C22H20ClN3O3 — CID 42946045

IUPAC5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1
InChIInChI=1S/C22H20ClN3O3/c1-13-4-9-18(14(2)10-13)19-24-17(12-29-19)11-26-20(27)22(3,25-21(26)28)15-5-7-16(23)8-6-15/h4-10,12H,11H2,1-3H3,(H,25,28)
InChIKeyDQHBPQCPKDRBRK-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.58
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione

5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 42946045) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID42946045
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1
InChIInChI=1S/C22H20ClN3O3/c1-13-4-9-18(14(2)10-13)19-24-17(12-29-19)11-26-20(27)22(3,25-21(26)28)15-5-7-16(23)8-6-15/h4-10,12H,11H2,1-3H3,(H,25,28)
InChIKeyDQHBPQCPKDRBRK-UHFFFAOYSA-N
XLogP4.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 46604342
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(5S)-5-methyl-5-(4-methylphenyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 41075128
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 46582960
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
1-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]benzo[cd]indol-2-one
CID 36543545
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 47037834
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(2,4-dimethylphenyl)-1,3-oxazole
CID 24674379
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 42946045) is 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(Cl)cc4)C3=O)co2)c(C)c1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is DQHBPQCPKDRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-13-4-9-18(14(2)10-13)19-24-17(12-29-19)11-26-20(27)22(3,25-21(26)28)15-5-7-16(23)8-6-15/h4-10,12H,11H2,1-3H3,(H,25,28).
What are the key properties of 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 409.87 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42946045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).