3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C15H13F2N3O3 — CID 167749043

IUPAC3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2ncoc2C(F)F)C1=O
InChIInChI=1S/C15H13F2N3O3/c1-15(9-5-3-2-4-6-9)13(21)20(14(22)19-15)7-10-11(12(16)17)23-8-18-10/h2-6,8,12H,7H2,1H3,(H,19,22)
InChIKeyWWVCHIHURGOXBA-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.58
Rot. Bonds4

About 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 167749043) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID167749043
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCC1(c2ccccc2)NC(=O)N(Cc2ncoc2C(F)F)C1=O
InChIInChI=1S/C15H13F2N3O3/c1-15(9-5-3-2-4-6-9)13(21)20(14(22)19-15)7-10-11(12(16)17)23-8-18-10/h2-6,8,12H,7H2,1H3,(H,19,22)
InChIKeyWWVCHIHURGOXBA-UHFFFAOYSA-N
XLogP2.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.58
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

(5R)-5-methyl-5-(2-phenylethyl)-3-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]imidazolidine-2,4-dione
CID 97157390
(5R)-5-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 95142897
5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
(5R)-5-methyl-5-phenyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95275420
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
3-[(2,6-dichlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 3887433
(5S)-3-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 94026653
(5R)-3-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 7171098
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 167749043) is 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is CC1(c2ccccc2)NC(=O)N(Cc2ncoc2C(F)F)C1=O.
What is the InChIKey of 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is WWVCHIHURGOXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-15(9-5-3-2-4-6-9)13(21)20(14(22)19-15)7-10-11(12(16)17)23-8-18-10/h2-6,8,12H,7H2,1H3,(H,19,22).
What are the key properties of 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 321.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 167749043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).