benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate

C29H28FN7O5 — CID 46916609

About benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate

benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate (PubChem CID 46916609) has the molecular formula C29H28FN7O5 and a molecular weight of 573.59 g/mol. Its IUPAC name is benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate
• PubChem CID: 46916609
• Molecular Formula: C29H28FN7O5
• Molecular Weight: 573.59 g/mol
• Exact Mass: 573.21
• IUPAC Name: benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(NC(=O)OCc4ccccc4)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C29H28FN7O5/c1-18(38)31-15-23-16-37(29(40)42-23)22-12-13-24(25(30)14-22)20-8-10-21(11-9-20)26(27-33-35-36(2)34-27)32-28(39)41-17-19-6-4-3-5-7-19/h3-14,23,26H,15-17H2,1-2H3,(H,31,38)(H,32,39)/t23-,26?/m0/s1
• InChIKey: QLDWCKYNYSMNQB-ZZHFZYNASA-N
• XLogP: 3.49
• TPSA: 140.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.59
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate?

The IUPAC name of benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate (CID 46916609) is benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate.

What is the SMILES notation for benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate?

The canonical SMILES for benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(NC(=O)OCc4ccccc4)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate?

The InChIKey is QLDWCKYNYSMNQB-ZZHFZYNASA-N. The full InChI is InChI=1S/C29H28FN7O5/c1-18(38)31-15-23-16-37(29(40)42-23)22-12-13-24(25(30)14-22)20-8-10-21(11-9-20)26(27-33-35-36(2)34-27)32-28(39)41-17-19-6-4-3-5-7-19/h3-14,23,26H,15-17H2,1-2H3,(H,31,38)(H,32,39)/t23-,26?/m0/s1.

What are the key properties of benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate?

benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate has a molecular weight of 573.59 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]-(2-methyltetrazol-5-yl)methyl]carbamate is sourced from PubChem (CID 46916609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).