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

C18H15F2N5O2 — CID 169290129

IUPAC2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCn1cnc2ccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cc21
InChIInChI=1S/C18H15F2N5O2/c1-2-25-10-22-14-6-5-13(7-15(14)25)26-9-12-4-3-11(8-21-12)17-23-24-18(27-17)16(19)20/h3-8,10,16H,2,9H2,1H3
InChIKeyRMRQDPKJRJFMEY-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.02
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290129) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290129
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCCn1cnc2ccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cc21
InChIInChI=1S/C18H15F2N5O2/c1-2-25-10-22-14-6-5-13(7-15(14)25)26-9-12-4-3-11(8-21-12)17-23-24-18(27-17)16(19)20/h3-8,10,16H,2,9H2,1H3
InChIKeyRMRQDPKJRJFMEY-UHFFFAOYSA-N
XLogP4.02
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-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-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290129) is 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is CCn1cnc2ccc(OCc3ccc(-c4nnc(C(F)F)o4)cn3)cc21.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is RMRQDPKJRJFMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c1-2-25-10-22-14-6-5-13(7-15(14)25)26-9-12-4-3-11(8-21-12)17-23-24-18(27-17)16(19)20/h3-8,10,16H,2,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 371.35 g/mol, XLogP of 4.02, 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-[(3-ethylbenzimidazol-5-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).