N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide

C21H31F2N5O5 — CID 140505215

IUPACN-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(CC)C(=O)c1noc(C2CC2)n1
InChIInChI=1S/C21H31F2N5O5/c1-3-7-21(22,23)12-15(25-20(31)28-8-10-32-11-9-28)18(30)24-14(4-2)16(29)17-26-19(33-27-17)13-5-6-13/h13-15H,3-12H2,1-2H3,(H,24,30)(H,25,31)/t14?,15-/m0/s1
InChIKeyXBKWLHLOPBYGTE-LOACHALJSA-N
MW471.51 g/mol
LogP2.26
Rot. Bonds11

About N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide (PubChem CID 140505215) has the molecular formula C21H31F2N5O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
PubChem CID140505215
Molecular FormulaC21H31F2N5O5
Molecular Weight471.51 g/mol
Exact Mass471.23
IUPAC NameN-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(CC)C(=O)c1noc(C2CC2)n1
InChIInChI=1S/C21H31F2N5O5/c1-3-7-21(22,23)12-15(25-20(31)28-8-10-32-11-9-28)18(30)24-14(4-2)16(29)17-26-19(33-27-17)13-5-6-13/h13-15H,3-12H2,1-2H3,(H,24,30)(H,25,31)/t14?,15-/m0/s1
InChIKeyXBKWLHLOPBYGTE-LOACHALJSA-N
XLogP2.26
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 11477276
N-[1-[[(2S)-1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
CID 11318619
N-[(2S)-1-[[(2S)-1-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
CID 140505213
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
N-[1-[[(1S,2S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxopentan-2-yl]-1,4-oxazepane-4-carboxamide
CID 91407625
N-[(2S)-1-[cyano(methyl)amino]-4,4-difluoro-1-oxoheptan-2-yl]-1,4-oxazepane-4-carboxamide
CID 91075977
N-[3-(2-methylpropylsulfonyl)-1-oxo-1-[[1-oxo-1-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]amino]propan-2-yl]morpholine-4-carboxamide
CID 23586829
(2R)-N-[(2S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
CID 58619491
N-[(5S)-7,7-difluoro-9-methyl-4-oxodecan-5-yl]morpholine-4-carboxamide
CID 58176317
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
N-[1-[(5-cyclopropyl-1,3,4-oxadiazole-2-carbonyl)-propylamino]-4,4-difluoro-1-oxo-5-phenylpentan-2-yl]morpholine-4-carboxamide
CID 11237698
methyl 4,4-difluoro-6-methyl-2-(morpholine-4-carbonylamino)heptanoate
CID 68821113

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide (CID 140505215) is N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide is CCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)NC(CC)C(=O)c1noc(C2CC2)n1.
What is the InChIKey of N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The InChIKey is XBKWLHLOPBYGTE-LOACHALJSA-N. The full InChI is InChI=1S/C21H31F2N5O5/c1-3-7-21(22,23)12-15(25-20(31)28-8-10-32-11-9-28)18(30)24-14(4-2)16(29)17-26-19(33-27-17)13-5-6-13/h13-15H,3-12H2,1-2H3,(H,24,30)(H,25,31)/t14?,15-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 2.26, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-1-oxobutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 140505215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).