9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

C35H33N3O4 — CID 166445901

About 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 166445901) has the molecular formula C35H33N3O4 and a molecular weight of 559.67 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
• PubChem CID: 166445901
• Molecular Formula: C35H33N3O4
• Molecular Weight: 559.67 g/mol
• Exact Mass: 559.25
• IUPAC Name: 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
• SMILES: CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nnc(-c3ccccc3)o2)cc1
• InChI: InChI=1S/C35H33N3O4/c1-35(2,3)42-25-19-17-23(18-20-25)21-31(33-38-37-32(41-33)24-11-5-4-6-12-24)36-34(39)40-22-30-28-15-9-7-13-26(28)27-14-8-10-16-29(27)30/h4-20,30-31H,21-22H2,1-3H3,(H,36,39)/t31-/m0/s1
• InChIKey: STLGJBJWOJBRRU-HKBQPEDESA-N
• XLogP: 7.74
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.67
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?

The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 166445901) is 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?

The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nnc(-c3ccccc3)o2)cc1.

What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?

The InChIKey is STLGJBJWOJBRRU-HKBQPEDESA-N. The full InChI is InChI=1S/C35H33N3O4/c1-35(2,3)42-25-19-17-23(18-20-25)21-31(33-38-37-32(41-33)24-11-5-4-6-12-24)36-34(39)40-22-30-28-15-9-7-13-26(28)27-14-8-10-16-29(27)30/h4-20,30-31H,21-22H2,1-3H3,(H,36,39)/t31-/m0/s1.

What are the key properties of 9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?

9H-fluoren-9-ylmethyl N-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 559.67 g/mol, XLogP of 7.74, 8 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-[(1S)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 166445901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).