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

C22H19F2N3O3 — CID 46604342

IUPAC5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)co2)c(C)c1
InChIInChI=1S/C22H19F2N3O3/c1-12-4-6-16(13(2)8-12)19-25-15(11-30-19)10-27-20(28)22(3,26-21(27)29)14-5-7-17(23)18(24)9-14/h4-9,11H,10H2,1-3H3,(H,26,29)
InChIKeyNRXIWKVVHYPHLH-UHFFFAOYSA-N
MW411.41 g/mol
LogP4.20
Rot. Bonds4

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

5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 46604342) has the molecular formula C22H19F2N3O3 and a molecular weight of 411.41 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID46604342
Molecular FormulaC22H19F2N3O3
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)co2)c(C)c1
InChIInChI=1S/C22H19F2N3O3/c1-12-4-6-16(13(2)8-12)19-25-15(11-30-19)10-27-20(28)22(3,26-21(27)29)14-5-7-17(23)18(24)9-14/h4-9,11H,10H2,1-3H3,(H,26,29)
InChIKeyNRXIWKVVHYPHLH-UHFFFAOYSA-N
XLogP4.20
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 46604342) is 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)c(F)c4)C3=O)co2)c(C)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NRXIWKVVHYPHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O3/c1-12-4-6-16(13(2)8-12)19-25-15(11-30-19)10-27-20(28)22(3,26-21(27)29)14-5-7-17(23)18(24)9-14/h4-9,11H,10H2,1-3H3,(H,26,29).
What are the key properties of 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 411.41 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 46604342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).