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

C24H22F2N6O3 — CID 162721934

IUPACN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1)N1CCOCC1
InChIInChI=1S/C24H22F2N6O3/c25-21(26)23-30-29-22(35-23)17-6-4-16(5-7-17)13-31-14-20(27-15-31)18-2-1-3-19(12-18)28-24(33)32-8-10-34-11-9-32/h1-7,12,14-15,21H,8-11,13H2,(H,28,33)
InChIKeyWOARLRFGBNVMNA-UHFFFAOYSA-N
MW480.48 g/mol
LogP4.45
Rot. Bonds6

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

N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162721934) has the molecular formula C24H22F2N6O3 and a molecular weight of 480.48 g/mol. Its IUPAC name is N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
PubChem CID162721934
Molecular FormulaC24H22F2N6O3
Molecular Weight480.48 g/mol
Exact Mass480.17
IUPAC NameN-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1)N1CCOCC1
InChIInChI=1S/C24H22F2N6O3/c25-21(26)23-30-29-22(35-23)17-6-4-16(5-7-17)13-31-14-20(27-15-31)18-2-1-3-19(12-18)28-24(33)32-8-10-34-11-9-32/h1-7,12,14-15,21H,8-11,13H2,(H,28,33)
InChIKeyWOARLRFGBNVMNA-UHFFFAOYSA-N
XLogP4.45
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide (CID 162721934) is N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cc3)cn2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is WOARLRFGBNVMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O3/c25-21(26)23-30-29-22(35-23)17-6-4-16(5-7-17)13-31-14-20(27-15-31)18-2-1-3-19(12-18)28-24(33)32-8-10-34-11-9-32/h1-7,12,14-15,21H,8-11,13H2,(H,28,33).
What are the key properties of N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 480.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162721934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).