2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

C19H17F2N5O2 — CID 169290132

IUPAC2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)n1cnc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc21
InChIInChI=1S/C19H17F2N5O2/c1-11(2)26-10-23-15-7-14(5-6-16(15)26)27-9-13-4-3-12(8-22-13)18-24-25-19(28-18)17(20)21/h3-8,10-11,17H,9H2,1-2H3
InChIKeyLXOUEQYLCFMGOJ-UHFFFAOYSA-N
MW385.37 g/mol
LogP4.58
Rot. Bonds6

About 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290132) has the molecular formula C19H17F2N5O2 and a molecular weight of 385.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290132
Molecular FormulaC19H17F2N5O2
Molecular Weight385.37 g/mol
Exact Mass385.14
IUPAC Name2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCC(C)n1cnc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc21
InChIInChI=1S/C19H17F2N5O2/c1-11(2)26-10-23-15-7-14(5-6-16(15)26)27-9-13-4-3-12(8-22-13)18-24-25-19(28-18)17(20)21/h3-8,10-11,17H,9H2,1-2H3
InChIKeyLXOUEQYLCFMGOJ-UHFFFAOYSA-N
XLogP4.58
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290132) is 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is CC(C)n1cnc2cc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)ccc21.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is LXOUEQYLCFMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2/c1-11(2)26-10-23-15-7-14(5-6-16(15)26)27-9-13-4-3-12(8-22-13)18-24-25-19(28-18)17(20)21/h3-8,10-11,17H,9H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 385.37 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[(1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).