N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C31H28F2N3O7P — CID 25004975

About N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 25004975) has the molecular formula C31H28F2N3O7P and a molecular weight of 623.55 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 25004975
• Molecular Formula: C31H28F2N3O7P
• Molecular Weight: 623.55 g/mol
• Exact Mass: 623.16
• IUPAC Name: N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCP(=O)(Oc4ccc5oc(-c6ccccc6)cc(=O)c5c4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C31H28F2N3O7P/c1-19(37)34-17-23-18-36(31(39)41-23)21-13-25(32)30(26(33)14-21)35-9-11-44(40,12-10-35)43-22-7-8-28-24(15-22)27(38)16-29(42-28)20-5-3-2-4-6-20/h2-8,13-16,23H,9-12,17-18H2,1H3,(H,34,37)/t23-/m0/s1
• InChIKey: MDMCJMTZFWXGBT-QHCPKHFHSA-N
• XLogP: 5.38
• TPSA: 118.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.55
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 25004975) is N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCP(=O)(Oc4ccc5oc(-c6ccccc6)cc(=O)c5c4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is MDMCJMTZFWXGBT-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H28F2N3O7P/c1-19(37)34-17-23-18-36(31(39)41-23)21-13-25(32)30(26(33)14-21)35-9-11-44(40,12-10-35)43-22-7-8-28-24(15-22)27(38)16-29(42-28)20-5-3-2-4-6-20/h2-8,13-16,23H,9-12,17-18H2,1H3,(H,34,37)/t23-/m0/s1.

What are the key properties of N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 623.55 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3,5-difluoro-4-[4-oxo-4-(4-oxo-2-phenylchromen-6-yl)oxy-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 25004975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).