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

C21H33F2N5O5 — CID 86760809

IUPACN-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)NC(CC)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C21H33F2N5O5/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)19-26-17(27-33-19)13-5-6-13/h13-16,29H,3-12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyWQGVIVXXEWRKTI-UHFFFAOYSA-N
MW473.52 g/mol
LogP2.11
Rot. Bonds11

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

N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide (PubChem CID 86760809) has the molecular formula C21H33F2N5O5 and a molecular weight of 473.52 g/mol. Its IUPAC name is N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
PubChem CID86760809
Molecular FormulaC21H33F2N5O5
Molecular Weight473.52 g/mol
Exact Mass473.24
IUPAC NameN-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide
SMILESCCCC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)NC(CC)C(O)c1nc(C2CC2)no1
InChIInChI=1S/C21H33F2N5O5/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)19-26-17(27-33-19)13-5-6-13/h13-16,29H,3-12H2,1-2H3,(H,24,30)(H,25,31)
InChIKeyWQGVIVXXEWRKTI-UHFFFAOYSA-N
XLogP2.11
TPSA129.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.52
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide (CID 86760809) is N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide is CCCC(F)(F)CC(NC(=O)N1CCOCC1)C(=O)NC(CC)C(O)c1nc(C2CC2)no1.
What is the InChIKey of N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The InChIKey is WQGVIVXXEWRKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F2N5O5/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)19-26-17(27-33-19)13-5-6-13/h13-16,29H,3-12H2,1-2H3,(H,24,30)(H,25,31).
What are the key properties of N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide?
N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide has a molecular weight of 473.52 g/mol, XLogP of 2.11, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-hydroxybutan-2-yl]amino]-4,4-difluoro-1-oxoheptan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 86760809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).