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

C18H13F2N5O3 — CID 163283196

IUPAC3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C18H13F2N5O3/c19-15(20)17-23-22-16(28-17)11-6-7-12(21-8-11)9-25-14(26)10-24(18(25)27)13-4-2-1-3-5-13/h1-8,15H,9-10H2
InChIKeyHLPZQOZQRLVDGO-UHFFFAOYSA-N
MW385.33 g/mol
LogP3.04
Rot. Bonds5

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

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione (PubChem CID 163283196) has the molecular formula C18H13F2N5O3 and a molecular weight of 385.33 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione
PubChem CID163283196
Molecular FormulaC18H13F2N5O3
Molecular Weight385.33 g/mol
Exact Mass385.10
IUPAC Name3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccc2)C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C18H13F2N5O3/c19-15(20)17-23-22-16(28-17)11-6-7-12(21-8-11)9-25-14(26)10-24(18(25)27)13-4-2-1-3-5-13/h1-8,15H,9-10H2
InChIKeyHLPZQOZQRLVDGO-UHFFFAOYSA-N
XLogP3.04
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 53.04
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-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione (CID 163283196) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione is O=C1CN(c2ccccc2)C(=O)N1Cc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione?
The InChIKey is HLPZQOZQRLVDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O3/c19-15(20)17-23-22-16(28-17)11-6-7-12(21-8-11)9-25-14(26)10-24(18(25)27)13-4-2-1-3-5-13/h1-8,15H,9-10H2.
What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione?
3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-phenylimidazolidine-2,4-dione has a molecular weight of 385.33 g/mol, XLogP of 3.04, 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-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 163283196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).