[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate

C27H25F4N9O6 — CID 162722686

IUPAC[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1cc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)ccc1OC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C27H25F4N9O6/c28-18-11-16(24-34-35-25(46-24)22(30)31)12-19(29)17(18)14-40-36-23(33-37-40)15-1-2-21(45-27(42)39-5-9-44-10-6-39)20(13-15)32-26(41)38-3-7-43-8-4-38/h1-2,11-13,22H,3-10,14H2,(H,32,41)
InChIKeyVHASYGHNGRLMBC-UHFFFAOYSA-N
MW647.55 g/mol
LogP3.35
Rot. Bonds7

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

[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate (PubChem CID 162722686) has the molecular formula C27H25F4N9O6 and a molecular weight of 647.55 g/mol. Its IUPAC name is [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate
PubChem CID162722686
Molecular FormulaC27H25F4N9O6
Molecular Weight647.55 g/mol
Exact Mass647.19
IUPAC Name[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate
SMILESO=C(Nc1cc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)ccc1OC(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C27H25F4N9O6/c28-18-11-16(24-34-35-25(46-24)22(30)31)12-19(29)17(18)14-40-36-23(33-37-40)15-1-2-21(45-27(42)39-5-9-44-10-6-39)20(13-15)32-26(41)38-3-7-43-8-4-38/h1-2,11-13,22H,3-10,14H2,(H,32,41)
InChIKeyVHASYGHNGRLMBC-UHFFFAOYSA-N
XLogP3.35
TPSA162.86 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.55
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate 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 [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate (CID 162722686) is [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate is O=C(Nc1cc(-c2nnn(Cc3c(F)cc(-c4nnc(C(F)F)o4)cc3F)n2)ccc1OC(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate?
The InChIKey is VHASYGHNGRLMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N9O6/c28-18-11-16(24-34-35-25(46-24)22(30)31)12-19(29)17(18)14-40-36-23(33-37-40)15-1-2-21(45-27(42)39-5-9-44-10-6-39)20(13-15)32-26(41)38-3-7-43-8-4-38/h1-2,11-13,22H,3-10,14H2,(H,32,41).
What are the key properties of [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate?
[4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate has a molecular weight of 647.55 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2,6-difluorophenyl]methyl]tetrazol-5-yl]-2-(morpholine-4-carbonylamino)phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 162722686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).