9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate

C29H33BN2O5 — CID 170810725

About 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate (PubChem CID 170810725) has the molecular formula C29H33BN2O5 and a molecular weight of 500.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
• PubChem CID: 170810725
• Molecular Formula: C29H33BN2O5
• Molecular Weight: 500.40 g/mol
• Exact Mass: 500.25
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate
• SMILES: Cc1noc(C)c1C=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C29H33BN2O5/c1-18-25(19(2)35-32-18)15-20(30-36-28(3,4)29(5,6)37-30)16-31-27(33)34-17-26-23-13-9-7-11-21(23)22-12-8-10-14-24(22)26/h7-15,26H,16-17H2,1-6H3,(H,31,33)
• InChIKey: OWYMNUJISSFYAV-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.40
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate (CID 170810725) is 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate is Cc1noc(C)c1C=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate?

The InChIKey is OWYMNUJISSFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33BN2O5/c1-18-25(19(2)35-32-18)15-20(30-36-28(3,4)29(5,6)37-30)16-31-27(33)34-17-26-23-13-9-7-11-21(23)22-12-8-10-14-24(22)26/h7-15,26H,16-17H2,1-6H3,(H,31,33).

What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate?

9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate has a molecular weight of 500.40 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 170810725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).