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

C26H35F2N5O5 — CID 11318619

About 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

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 (PubChem CID 11318619) has the molecular formula C26H35F2N5O5 and a molecular weight of 535.59 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 11318619
• Molecular Formula: C26H35F2N5O5
• Molecular Weight: 535.59 g/mol
• Exact Mass: 535.26
• IUPAC Name: 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
• SMILES: CC[C@H](NC(=O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1noc(C(C)(C)C)n1
• InChI: InChI=1S/C26H35F2N5O5/c1-5-18(20(34)21-31-23(38-32-21)25(2,3)4)29-22(35)19(30-24(36)33-11-13-37-14-12-33)16-26(27,28)15-17-9-7-6-8-10-17/h6-10,18-19H,5,11-16H2,1-4H3,(H,29,35)(H,30,36)/t18-,19?/m0/s1
• InChIKey: MRJUWRTZHMVFNZ-OYKVQYDMSA-N
• XLogP: 3.12
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.59
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC[C@H](NC(=O)C(CC(F)(F)Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)c1noc(C(C)(C)C)n1.

What is the InChIKey of 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?

The InChIKey is MRJUWRTZHMVFNZ-OYKVQYDMSA-N. The full InChI is InChI=1S/C26H35F2N5O5/c1-5-18(20(34)21-31-23(38-32-21)25(2,3)4)29-22(35)19(30-24(36)33-11-13-37-14-12-33)16-26(27,28)15-17-9-7-6-8-10-17/h6-10,18-19H,5,11-16H2,1-4H3,(H,29,35)(H,30,36)/t18-,19?/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 535.59 g/mol, XLogP of 3.12, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 11318619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).