3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine

C23H34F2N8O5 — CID 143999327

About 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine

3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine (PubChem CID 143999327) has the molecular formula C23H34F2N8O5 and a molecular weight of 540.57 g/mol. Its IUPAC name is 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine.

Molecular Properties

• Compound Name: 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine
• PubChem CID: 143999327
• Molecular Formula: C23H34F2N8O5
• Molecular Weight: 540.57 g/mol
• Exact Mass: 540.26
• IUPAC Name: 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine
• SMILES: C=O.CCC(=O)N1CCN(c2c(F)cc(N3CC(CO)OC3=O)cc2F)CC1.CN.NNc1cnccn1
• InChI: InChI=1S/C17H21F2N3O4.C4H6N4.CH5N.CH2O/c1-2-15(24)20-3-5-21(6-4-20)16-13(18)7-11(8-14(16)19)22-9-12(10-23)26-17(22)25;5-8-4-3-6-1-2-7-4;2*1-2/h7-8,12,23H,2-6,9-10H2,1H3;1-3H,5H2,(H,7,8);2H2,1H3;1H2
• InChIKey: RQBHLWJABHYVSX-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 180.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.57
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine?

The IUPAC name of 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine (CID 143999327) is 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine.

What is the SMILES notation for 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine?

The canonical SMILES for 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine is C=O.CCC(=O)N1CCN(c2c(F)cc(N3CC(CO)OC3=O)cc2F)CC1.CN.NNc1cnccn1.

What is the InChIKey of 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine?

The InChIKey is RQBHLWJABHYVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O4.C4H6N4.CH5N.CH2O/c1-2-15(24)20-3-5-21(6-4-20)16-13(18)7-11(8-14(16)19)22-9-12(10-23)26-17(22)25;5-8-4-3-6-1-2-7-4;2*1-2/h7-8,12,23H,2-6,9-10H2,1H3;1-3H,5H2,(H,7,8);2H2,1H3;1H2.

What are the key properties of 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine?

3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine has a molecular weight of 540.57 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-difluoro-4-(4-propanoylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;formaldehyde;methanamine;pyrazin-2-ylhydrazine is sourced from PubChem (CID 143999327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).