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

C18H14F2N6O2 — CID 167152167

IUPAC2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C18H14F2N6O2/c1-27-14-4-2-3-11(7-14)15-10-26(25-22-15)9-13-6-5-12(8-21-13)17-23-24-18(28-17)16(19)20/h2-8,10,16H,9H2,1H3
InChIKeyMHHWWGKYBFFVDF-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.38
Rot. Bonds6

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

2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 167152167) has the molecular formula C18H14F2N6O2 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID167152167
Molecular FormulaC18H14F2N6O2
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Name2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESCOc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1
InChIInChI=1S/C18H14F2N6O2/c1-27-14-4-2-3-11(7-14)15-10-26(25-22-15)9-13-6-5-12(8-21-13)17-23-24-18(28-17)16(19)20/h2-8,10,16H,9H2,1H3
InChIKeyMHHWWGKYBFFVDF-UHFFFAOYSA-N
XLogP3.38
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-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-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 167152167) is 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is COc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)nn2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is MHHWWGKYBFFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O2/c1-27-14-4-2-3-11(7-14)15-10-26(25-22-15)9-13-6-5-12(8-21-13)17-23-24-18(28-17)16(19)20/h2-8,10,16H,9H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 384.35 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-[[4-(3-methoxyphenyl)triazol-1-yl]methyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167152167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).