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

C23H20F2N6O4 — CID 162722647

IUPACN-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)c1)N1CCOCC1
InChIInChI=1S/C23H20F2N6O4/c24-19(25)22-29-28-21(34-22)15-6-4-14(5-7-15)12-18-27-20(35-30-18)16-2-1-3-17(13-16)26-23(32)31-8-10-33-11-9-31/h1-7,13,19H,8-12H2,(H,26,32)
InChIKeyPDCRQUQJUUTQIO-UHFFFAOYSA-N
MW482.45 g/mol
LogP4.18
Rot. Bonds6

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

N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide (PubChem CID 162722647) has the molecular formula C23H20F2N6O4 and a molecular weight of 482.45 g/mol. Its IUPAC name is N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]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]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
PubChem CID162722647
Molecular FormulaC23H20F2N6O4
Molecular Weight482.45 g/mol
Exact Mass482.15
IUPAC NameN-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)c1)N1CCOCC1
InChIInChI=1S/C23H20F2N6O4/c24-19(25)22-29-28-21(34-22)15-6-4-14(5-7-15)12-18-27-20(35-30-18)16-2-1-3-17(13-16)26-23(32)31-8-10-33-11-9-31/h1-7,13,19H,8-12H2,(H,26,32)
InChIKeyPDCRQUQJUUTQIO-UHFFFAOYSA-N
XLogP4.18
TPSA119.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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]phenyl]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]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide (CID 162722647) is N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]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]phenyl]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]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1cccc(-c2nc(Cc3ccc(-c4nnc(C(F)F)o4)cc3)no2)c1)N1CCOCC1.
What is the InChIKey of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is PDCRQUQJUUTQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O4/c24-19(25)22-29-28-21(34-22)15-6-4-14(5-7-15)12-18-27-20(35-30-18)16-2-1-3-17(13-16)26-23(32)31-8-10-33-11-9-31/h1-7,13,19H,8-12H2,(H,26,32).
What are the key properties of N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide?
N-[3-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 482.45 g/mol, XLogP of 4.18, 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]phenyl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 162722647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).