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

C22H37F2N5O5 — CID 140505213

About 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

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 (PubChem CID 140505213) has the molecular formula C22H37F2N5O5 and a molecular weight of 489.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 140505213
• Molecular Formula: C22H37F2N5O5
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.28
• IUPAC Name: 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
• SMILES: CCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C22H37F2N5O5/c1-6-8-22(23,24)13-15(26-20(32)29-9-11-33-12-10-29)18(31)25-14(7-2)16(30)17-27-19(34-28-17)21(3,4)5/h14-16,30H,6-13H2,1-5H3,(H,25,31)(H,26,32)/t14-,15-,16?/m0/s1
• InChIKey: JHQNSZCLMZLJFL-KSCSMHSMSA-N
• XLogP: 2.53
• TPSA: 129.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCC(F)(F)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](CC)C(O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 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?

The InChIKey is JHQNSZCLMZLJFL-KSCSMHSMSA-N. The full InChI is InChI=1S/C22H37F2N5O5/c1-6-8-22(23,24)13-15(26-20(32)29-9-11-33-12-10-29)18(31)25-14(7-2)16(30)17-27-19(34-28-17)21(3,4)5/h14-16,30H,6-13H2,1-5H3,(H,25,31)(H,26,32)/t14-,15-,16?/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 489.56 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 140505213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).