methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C20H30N4O4 — CID 142929335

About methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 142929335) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 142929335
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.48 g/mol
• Exact Mass: 390.23
• IUPAC Name: methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: CCCC/C(C)=C(/NNC)c1ccc(N2CC(CNC(=O)OC)OC2=O)cc1
• InChI: InChI=1S/C20H30N4O4/c1-5-6-7-14(2)18(23-21-3)15-8-10-16(11-9-15)24-13-17(28-20(24)26)12-22-19(25)27-4/h8-11,17,21,23H,5-7,12-13H2,1-4H3,(H,22,25)/b18-14+
• InChIKey: INUWIKDFDGKWLE-NBVRZTHBSA-N
• XLogP: 3.01
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.48
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 142929335) is methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CCCC/C(C)=C(/NNC)c1ccc(N2CC(CNC(=O)OC)OC2=O)cc1.

What is the InChIKey of methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is INUWIKDFDGKWLE-NBVRZTHBSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-6-7-14(2)18(23-21-3)15-8-10-16(11-9-15)24-13-17(28-20(24)26)12-22-19(25)27-4/h8-11,17,21,23H,5-7,12-13H2,1-4H3,(H,22,25)/b18-14+.

What are the key properties of methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 390.48 g/mol, XLogP of 3.01, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[3-[4-[(E)-2-methyl-1-(2-methylhydrazinyl)hex-1-enyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 142929335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).