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

C32H29N3O4 — CID 139232464

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

9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate (PubChem CID 139232464) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate
• PubChem CID: 139232464
• Molecular Formula: C32H29N3O4
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.22
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate
• SMILES: O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1C[C@H](c2ccccc2)ON1c1ccccc1
• InChI: InChI=1S/C32H29N3O4/c36-31(34-30-19-29(22-11-3-1-4-12-22)39-35(30)23-13-5-2-6-14-23)20-33-32(37)38-21-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28/h1-18,28-30H,19-21H2,(H,33,37)(H,34,36)/t29-,30+/m1/s1
• InChIKey: MVCMPULQVAZMIY-IHLOFXLRSA-N
• XLogP: 5.55
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.60
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-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate (CID 139232464) is 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate.

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

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H]1C[C@H](c2ccccc2)ON1c1ccccc1.

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

The InChIKey is MVCMPULQVAZMIY-IHLOFXLRSA-N. The full InChI is InChI=1S/C32H29N3O4/c36-31(34-30-19-29(22-11-3-1-4-12-22)39-35(30)23-13-5-2-6-14-23)20-33-32(37)38-21-28-26-17-9-7-15-24(26)25-16-8-10-18-27(25)28/h1-18,28-30H,19-21H2,(H,33,37)(H,34,36)/t29-,30+/m1/s1.

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

9H-fluoren-9-ylmethyl N-[2-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate has a molecular weight of 519.60 g/mol, XLogP of 5.55, 7 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-[[(3S,5R)-2,5-diphenyl-1,2-oxazolidin-3-yl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 139232464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).