3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione

C20H16F3N5O3 — CID 163283194

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C20H16F3N5O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(21)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(22)23/h3-9,15H,10H2,1-2H3
InChIKeySNZCVJIZRPPVQG-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.96
Rot. Bonds5

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163283194) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID163283194
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(F)c1
InChIInChI=1S/C20H16F3N5O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(21)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(22)23/h3-9,15H,10H2,1-2H3
InChIKeySNZCVJIZRPPVQG-UHFFFAOYSA-N
XLogP3.96
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 163283194) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1cccc(F)c1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is SNZCVJIZRPPVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-20(2)18(29)27(19(30)28(20)14-5-3-4-12(21)8-14)10-13-7-6-11(9-24-13)16-25-26-17(31-16)15(22)23/h3-9,15H,10H2,1-2H3.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 431.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(3-fluorophenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163283194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).