N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

C25H18F4N6O3 — CID 162722417

IUPACN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)c1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C25H18F4N6O3/c1-14(36)35(11-18-6-3-7-37-18)17-5-2-4-15(8-17)22-13-34(33-30-22)12-19-20(26)9-16(10-21(19)27)24-31-32-25(38-24)23(28)29/h2-10,13,23H,11-12H2,1H3
InChIKeyWIWZIJFKJXHKPC-UHFFFAOYSA-N
MW526.45 g/mol
LogP5.41
Rot. Bonds8

About N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide

N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 162722417) has the molecular formula C25H18F4N6O3 and a molecular weight of 526.45 g/mol. Its IUPAC name is N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID162722417
Molecular FormulaC25H18F4N6O3
Molecular Weight526.45 g/mol
Exact Mass526.14
IUPAC NameN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccco1)c1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1
InChIInChI=1S/C25H18F4N6O3/c1-14(36)35(11-18-6-3-7-37-18)17-5-2-4-15(8-17)22-13-34(33-30-22)12-19-20(26)9-16(10-21(19)27)24-31-32-25(38-24)23(28)29/h2-10,13,23H,11-12H2,1H3
InChIKeyWIWZIJFKJXHKPC-UHFFFAOYSA-N
XLogP5.41
TPSA103.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide 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 N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide (CID 162722417) is N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide is CC(=O)N(Cc1ccco1)c1cccc(-c2cn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)nn2)c1.
What is the InChIKey of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WIWZIJFKJXHKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N6O3/c1-14(36)35(11-18-6-3-7-37-18)17-5-2-4-15(8-17)22-13-34(33-30-22)12-19-20(26)9-16(10-21(19)27)24-31-32-25(38-24)23(28)29/h2-10,13,23H,11-12H2,1H3.
What are the key properties of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide?
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 526.45 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]triazol-4-yl]phenyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 162722417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).