9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate

C33H31N3O4 — CID 139232494

About 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate (PubChem CID 139232494) has the molecular formula C33H31N3O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 139232494
• Molecular Formula: C33H31N3O4
• Molecular Weight: 533.63 g/mol
• Exact Mass: 533.23
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate
• SMILES: O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C[C@H](c2ccccc2)ON1Cc1ccccc1
• InChI: InChI=1S/C33H31N3O4/c37-32(20-34-33(38)39-22-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)29)35-31-19-30(24-13-5-2-6-14-24)40-36(31)21-23-11-3-1-4-12-23/h1-18,29-31H,19-22H2,(H,34,38)(H,35,37)/t30-,31-/m1/s1
• InChIKey: ZRFZHJRDBMDRDR-FIRIVFDPSA-N
• XLogP: 5.55
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.63
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate (CID 139232494) is 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1C[C@H](c2ccccc2)ON1Cc1ccccc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate?

The InChIKey is ZRFZHJRDBMDRDR-FIRIVFDPSA-N. The full InChI is InChI=1S/C33H31N3O4/c37-32(20-34-33(38)39-22-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)29)35-31-19-30(24-13-5-2-6-14-24)40-36(31)21-23-11-3-1-4-12-23/h1-18,29-31H,19-22H2,(H,34,38)(H,35,37)/t30-,31-/m1/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate?

9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 533.63 g/mol, XLogP of 5.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[2-[[(3R,5R)-2-benzyl-5-phenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 139232494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).