4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid

C30H36N4O5 — CID 172949411

About 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid

4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid (PubChem CID 172949411) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid
• PubChem CID: 172949411
• Molecular Formula: C30H36N4O5
• Molecular Weight: 532.64 g/mol
• Exact Mass: 532.27
• IUPAC Name: 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid
• SMILES: CO/N=C1\OC[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(OC3=CC(C)C(C(=O)O)C=C3)nc2C)CC1
• InChI: InChI=1S/C30H36N4O5/c1-20-17-25(10-11-26(20)29(35)36)39-28-12-9-23(21(2)31-28)18-33-15-13-24(14-16-33)34-27(19-38-30(34)32-37-3)22-7-5-4-6-8-22/h4-12,17,20,24,26-27H,13-16,18-19H2,1-3H3,(H,35,36)/b32-30-/t20?,26?,27-/m0/s1
• InChIKey: PEJGRYPDCMDXKM-UXIKDHDTSA-N
• XLogP: 4.51
• TPSA: 96.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.64
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid?

The IUPAC name of 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid (CID 172949411) is 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid.

What is the SMILES notation for 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid?

The canonical SMILES for 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid is CO/N=C1\OC[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(OC3=CC(C)C(C(=O)O)C=C3)nc2C)CC1.

What is the InChIKey of 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid?

The InChIKey is PEJGRYPDCMDXKM-UXIKDHDTSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-20-17-25(10-11-26(20)29(35)36)39-28-12-9-23(21(2)31-28)18-33-15-13-24(14-16-33)34-27(19-38-30(34)32-37-3)22-7-5-4-6-8-22/h4-12,17,20,24,26-27H,13-16,18-19H2,1-3H3,(H,35,36)/b32-30-/t20?,26?,27-/m0/s1.

What are the key properties of 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid?

4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid has a molecular weight of 532.64 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[[4-[(2Z,4R)-2-methoxyimino-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-6-methyl-2-pyridinyl]oxy]-6-methylcyclohexa-2,4-diene-1-carboxylic acid is sourced from PubChem (CID 172949411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).