N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane

C24H33FN6O3S — CID 143007005

About N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane

N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane (PubChem CID 143007005) has the molecular formula C24H33FN6O3S and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane.

Molecular Properties

• Compound Name: N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane
• PubChem CID: 143007005
• Molecular Formula: C24H33FN6O3S
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.23
• IUPAC Name: N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane
• SMILES: CC.CC(=O)NCC1CN(c2ccc(-c3ccc(CSC(C)/N=C(/N)NN)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H27FN6O3S.C2H6/c1-13(30)26-10-18-11-29(22(31)32-18)17-7-8-19(20(23)9-17)16-5-3-15(4-6-16)12-33-14(2)27-21(24)28-25;1-2/h3-9,14,18H,10-12,25H2,1-2H3,(H,26,30)(H3,24,27,28);1-2H3
• InChIKey: JYHCCGLRXMQAKN-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 135.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The IUPAC name of N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane (CID 143007005) is N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane.

What is the SMILES notation for N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The canonical SMILES for N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane is CC.CC(=O)NCC1CN(c2ccc(-c3ccc(CSC(C)/N=C(/N)NN)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

The InChIKey is JYHCCGLRXMQAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O3S.C2H6/c1-13(30)26-10-18-11-29(22(31)32-18)17-7-8-19(20(23)9-17)16-5-3-15(4-6-16)12-33-14(2)27-21(24)28-25;1-2/h3-9,14,18H,10-12,25H2,1-2H3,(H,26,30)(H3,24,27,28);1-2H3.

What are the key properties of N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane?

N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane has a molecular weight of 504.63 g/mol, XLogP of 3.34, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[4-[1-[(Z)-[amino(hydrazinyl)methylidene]amino]ethylsulfanylmethyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;ethane is sourced from PubChem (CID 143007005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).