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

C22H33F2N5O5 — CID 11477276

IUPACN-[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
SMILESCCC(NC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C22H33F2N5O5/c1-4-15(17(30)20-27-18(28-34-20)14-5-6-14)25-19(31)16(12-22(23,24)11-13(2)3)26-21(32)29-7-9-33-10-8-29/h13-16H,4-12H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyMKQHDVGAZJQFEY-UHFFFAOYSA-N
MW485.53 g/mol
LogP2.51
Rot. Bonds11

About 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

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 (PubChem CID 11477276) has the molecular formula C22H33F2N5O5 and a molecular weight of 485.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID11477276
Molecular FormulaC22H33F2N5O5
Molecular Weight485.53 g/mol
Exact Mass485.24
IUPAC NameN-[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
SMILESCCC(NC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1
InChIInChI=1S/C22H33F2N5O5/c1-4-15(17(30)20-27-18(28-34-20)14-5-6-14)25-19(31)16(12-22(23,24)11-13(2)3)26-21(32)29-7-9-33-10-8-29/h13-16H,4-12H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyMKQHDVGAZJQFEY-UHFFFAOYSA-N
XLogP2.51
TPSA126.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 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-oxobutan-2-yl]amino]-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(NC(=O)C(CC(F)(F)CC(C)C)NC(=O)N1CCOCC1)C(=O)c1nc(C2CC2)no1.
What is the InChIKey of 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?
The InChIKey is MKQHDVGAZJQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N5O5/c1-4-15(17(30)20-27-18(28-34-20)14-5-6-14)25-19(31)16(12-22(23,24)11-13(2)3)26-21(32)29-7-9-33-10-8-29/h13-16H,4-12H2,1-3H3,(H,25,31)(H,26,32).
What are the key properties of 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?
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 has a molecular weight of 485.53 g/mol, XLogP of 2.51, 11 rotatable bonds, 2 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-oxobutan-2-yl]amino]-4,4-difluoro-6-methyl-1-oxoheptan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 11477276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).