N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide

C23H18F4N6O4 — CID 162722474

IUPACN-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)c1)N1CCOCC1
InChIInChI=1S/C23H18F4N6O4/c24-16-9-13(21-30-31-22(36-21)19(26)27)10-17(25)15(16)11-18-29-20(37-32-18)12-2-1-3-14(8-12)28-23(34)33-4-6-35-7-5-33/h1-3,8-10,19H,4-7,11H2,(H,28,34)
InChIKeyBLKADRLYCZBTPT-UHFFFAOYSA-N
MW518.43 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide

N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162722474) has the molecular formula C23H18F4N6O4 and a molecular weight of 518.43 g/mol. Its IUPAC name is N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
PubChem CID162722474
Molecular FormulaC23H18F4N6O4
Molecular Weight518.43 g/mol
Exact Mass518.13
IUPAC NameN-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)c1)N1CCOCC1
InChIInChI=1S/C23H18F4N6O4/c24-16-9-13(21-30-31-22(36-21)19(26)27)10-17(25)15(16)11-18-29-20(37-32-18)12-2-1-3-14(8-12)28-23(34)33-4-6-35-7-5-33/h1-3,8-10,19H,4-7,11H2,(H,28,34)
InChIKeyBLKADRLYCZBTPT-UHFFFAOYSA-N
XLogP4.46
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide (CID 162722474) is N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2nc(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)no2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is BLKADRLYCZBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N6O4/c24-16-9-13(21-30-31-22(36-21)19(26)27)10-17(25)15(16)11-18-29-20(37-32-18)12-2-1-3-14(8-12)28-23(34)33-4-6-35-7-5-33/h1-3,8-10,19H,4-7,11H2,(H,28,34).
What are the key properties of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 518.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).