2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

C18H13F2N5O — CID 155712001

IUPAC2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccccc4)c3)nc2)o1
InChIInChI=1S/C18H13F2N5O/c19-16(20)18-24-23-17(26-18)13-6-7-14(21-8-13)9-25-10-15(22-11-25)12-4-2-1-3-5-12/h1-8,10-11,16H,9H2
InChIKeyPNPDDFIIIFSYPO-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.98
Rot. Bonds5

About 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 155712001) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID155712001
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccccc4)c3)nc2)o1
InChIInChI=1S/C18H13F2N5O/c19-16(20)18-24-23-17(26-18)13-6-7-14(21-8-13)9-25-10-15(22-11-25)12-4-2-1-3-5-12/h1-8,10-11,16H,9H2
InChIKeyPNPDDFIIIFSYPO-UHFFFAOYSA-N
XLogP3.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 155712001) is 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3cnc(-c4ccccc4)c3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is PNPDDFIIIFSYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-16(20)18-24-23-17(26-18)13-6-7-14(21-8-13)9-25-10-15(22-11-25)12-4-2-1-3-5-12/h1-8,10-11,16H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 353.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(4-phenylimidazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155712001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).