3-[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 158687279

About 3-[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

3-[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 158687279) has the molecular formula C22H33F2N5O5 and a molecular weight of 485.53 g/mol. Its IUPAC name is 3-[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 Name: 3-[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: 158687279
• Molecular Formula: C22H33F2N5O5
• Molecular Weight: 485.53 g/mol
• Exact Mass: 485.24
• IUPAC Name: 3-[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
• SMILES: CCC(NC(=O)C(CC(F)(F)CC(C)C)C1COCCN1C(N)=O)C(=O)c1nc(C2CC2)no1
• InChI: InChI=1S/C22H33F2N5O5/c1-4-15(17(30)20-27-18(28-34-20)13-5-6-13)26-19(31)14(10-22(23,24)9-12(2)3)16-11-33-8-7-29(16)21(25)32/h12-16H,4-11H2,1-3H3,(H2,25,32)(H,26,31)
• InChIKey: IFWYXBIEPYDYKJ-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 140.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.53
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[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 3-[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 158687279) is 3-[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 3-[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 3-[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)C1COCCN1C(N)=O)C(=O)c1nc(C2CC2)no1.

What is the InChIKey of 3-[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 IFWYXBIEPYDYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F2N5O5/c1-4-15(17(30)20-27-18(28-34-20)13-5-6-13)26-19(31)14(10-22(23,24)9-12(2)3)16-11-33-8-7-29(16)21(25)32/h12-16H,4-11H2,1-3H3,(H2,25,32)(H,26,31).

What are the key properties of 3-[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?

3-[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 2.49, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[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 158687279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).