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

C23H21F2N7O3 — CID 162722023

IUPACN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1)N1CCOCC1
InChIInChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-18(26-11-16)12-31-13-19(27-14-31)15-2-1-3-17(10-15)28-23(33)32-6-8-34-9-7-32/h1-5,10-11,13-14,20H,6-9,12H2,(H,28,33)
InChIKeyJSXBPWUCNACOSS-UHFFFAOYSA-N
MW481.46 g/mol
LogP3.85
Rot. Bonds6

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

N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162722023) has the molecular formula C23H21F2N7O3 and a molecular weight of 481.46 g/mol. Its IUPAC name is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
PubChem CID162722023
Molecular FormulaC23H21F2N7O3
Molecular Weight481.46 g/mol
Exact Mass481.17
IUPAC NameN-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1)N1CCOCC1
InChIInChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-18(26-11-16)12-31-13-19(27-14-31)15-2-1-3-17(10-15)28-23(33)32-6-8-34-9-7-32/h1-5,10-11,13-14,20H,6-9,12H2,(H,28,33)
InChIKeyJSXBPWUCNACOSS-UHFFFAOYSA-N
XLogP3.85
TPSA111.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide (CID 162722023) is N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2cn(Cc3ccc(-c4nnc(C(F)F)o4)cn3)cn2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is JSXBPWUCNACOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O3/c24-20(25)22-30-29-21(35-22)16-4-5-18(26-11-16)12-31-13-19(27-14-31)15-2-1-3-17(10-15)28-23(33)32-6-8-34-9-7-32/h1-5,10-11,13-14,20H,6-9,12H2,(H,28,33).
What are the key properties of N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide?
N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]imidazol-4-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).