N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide

C37H47N5O5 — CID 143383125

About N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide

N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide (PubChem CID 143383125) has the molecular formula C37H47N5O5 and a molecular weight of 641.81 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
• PubChem CID: 143383125
• Molecular Formula: C37H47N5O5
• Molecular Weight: 641.81 g/mol
• Exact Mass: 641.36
• IUPAC Name: N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
• SMILES: CC(C)C(CNC(Cc1ccccc1)C[C@H](O)C(Cc1ccccc1)NC(=O)C1CN(c2ccccc2)C(=O)O1)N1CCCNC1=O
• InChI: InChI=1S/C37H47N5O5/c1-26(2)32(41-20-12-19-38-36(41)45)24-39-29(21-27-13-6-3-7-14-27)23-33(43)31(22-28-15-8-4-9-16-28)40-35(44)34-25-42(37(46)47-34)30-17-10-5-11-18-30/h3-11,13-18,26,29,31-34,39,43H,12,19-25H2,1-2H3,(H,38,45)(H,40,44)/t29?,31?,32?,33-,34?/m0/s1
• InChIKey: ZBNOCUGBDXNXTI-QSOJJBHCSA-N
• XLogP: 4.13
• TPSA: 123.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	641.81
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The IUPAC name of N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide (CID 143383125) is N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide.

What is the SMILES notation for N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The canonical SMILES for N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide is CC(C)C(CNC(Cc1ccccc1)C[C@H](O)C(Cc1ccccc1)NC(=O)C1CN(c2ccccc2)C(=O)O1)N1CCCNC1=O.

What is the InChIKey of N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

The InChIKey is ZBNOCUGBDXNXTI-QSOJJBHCSA-N. The full InChI is InChI=1S/C37H47N5O5/c1-26(2)32(41-20-12-19-38-36(41)45)24-39-29(21-27-13-6-3-7-14-27)23-33(43)31(22-28-15-8-4-9-16-28)40-35(44)34-25-42(37(46)47-34)30-17-10-5-11-18-30/h3-11,13-18,26,29,31-34,39,43H,12,19-25H2,1-2H3,(H,38,45)(H,40,44)/t29?,31?,32?,33-,34?/m0/s1.

What are the key properties of N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide?

N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide has a molecular weight of 641.81 g/mol, XLogP of 4.13, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-3-hydroxy-5-[[3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butyl]amino]-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 143383125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).