[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt

C27H30CoF2N2O4 — CID 143402020

About [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt

[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt (PubChem CID 143402020) has the molecular formula C27H30CoF2N2O4 and a molecular weight of 543.48 g/mol. Its IUPAC name is [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt.

Molecular Properties

• Compound Name: [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt
• PubChem CID: 143402020
• Molecular Formula: C27H30CoF2N2O4
• Molecular Weight: 543.48 g/mol
• Exact Mass: 543.15
• IUPAC Name: [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](C(=[Co])N2C(=O)OC[C@@H]2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1
• InChI: InChI=1S/C27H30F2N2O4.Co/c1-27(2,3)35-25(32)30-12-11-19(23(16-30)22-10-9-20(28)14-24(22)29)15-31-21(17-34-26(31)33)13-18-7-5-4-6-8-18;/h4-10,14,19,21,23H,11-13,16-17H2,1-3H3;/t19-,21-,23+;/m0./s1
• InChIKey: OLCPQYCJUNGXPX-FEJWXPDQSA-N
• XLogP: 5.05
• TPSA: 59.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.48
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt?

The IUPAC name of [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt (CID 143402020) is [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt.

What is the SMILES notation for [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt?

The canonical SMILES for [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt is CC(C)(C)OC(=O)N1CC[C@@H](C(=[Co])N2C(=O)OC[C@@H]2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1.

What is the InChIKey of [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt?

The InChIKey is OLCPQYCJUNGXPX-FEJWXPDQSA-N. The full InChI is InChI=1S/C27H30F2N2O4.Co/c1-27(2,3)35-25(32)30-12-11-19(23(16-30)22-10-9-20(28)14-24(22)29)15-31-21(17-34-26(31)33)13-18-7-5-4-6-8-18;/h4-10,14,19,21,23H,11-13,16-17H2,1-3H3;/t19-,21-,23+;/m0./s1.

What are the key properties of [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt?

[[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt has a molecular weight of 543.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-[(3R,4R)-3-(2,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methylidene]cobalt is sourced from PubChem (CID 143402020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).