N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide

C25H30F5N5O6 — CID 11410760

IUPACN-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(=O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C25H30F5N5O6/c1-3-9-24(26,27)14-18(32-23(38)35-10-12-39-13-11-35)20(37)31-17(4-2)19(36)22-34-33-21(40-22)15-5-7-16(8-6-15)41-25(28,29)30/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,31,37)(H,32,38)/t17-,18-/m0/s1
InChIKeyZIXNHPZETKVUEB-ROUUACIJSA-N
MW591.53 g/mol
LogP3.95
Rot. Bonds12

About N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide

N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide (PubChem CID 11410760) has the molecular formula C25H30F5N5O6 and a molecular weight of 591.53 g/mol. Its IUPAC name is N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide
PubChem CID11410760
Molecular FormulaC25H30F5N5O6
Molecular Weight591.53 g/mol
Exact Mass591.21
IUPAC NameN-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(=O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1
InChIInChI=1S/C25H30F5N5O6/c1-3-9-24(26,27)14-18(32-23(38)35-10-12-39-13-11-35)20(37)31-17(4-2)19(36)22-34-33-21(40-22)15-5-7-16(8-6-15)41-25(28,29)30/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,31,37)(H,32,38)/t17-,18-/m0/s1
InChIKeyZIXNHPZETKVUEB-ROUUACIJSA-N
XLogP3.95
TPSA135.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide (CID 11410760) is N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide is CCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(=O)c1nnc(-c2ccc(OC(F)(F)F)cc2)o1.
What is the InChIKey of N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide?
The InChIKey is ZIXNHPZETKVUEB-ROUUACIJSA-N. The full InChI is InChI=1S/C25H30F5N5O6/c1-3-9-24(26,27)14-18(32-23(38)35-10-12-39-13-11-35)20(37)31-17(4-2)19(36)22-34-33-21(40-22)15-5-7-16(8-6-15)41-25(28,29)30/h5-8,17-18H,3-4,9-14H2,1-2H3,(H,31,37)(H,32,38)/t17-,18-/m0/s1.
What are the key properties of N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide?
N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide has a molecular weight of 591.53 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4,4-difluoro-1-oxo-1-[[(2S)-1-oxo-1-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]butan-2-yl]amino]heptan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11410760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).