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

C22H25N3O4 — CID 11153644

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

benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 11153644) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
• PubChem CID: 11153644
• Molecular Formula: C22H25N3O4
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.18
• IUPAC Name: benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)c1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C22H25N3O4/c1-22(2,3)28-15-18(23-21(26)27-14-16-10-6-4-7-11-16)20-25-24-19(29-20)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1
• InChIKey: CEYYTMJHOWRHPW-SFHVURJKSA-N
• XLogP: 4.52
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 11153644) is benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

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

The canonical SMILES for benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)c1nnc(-c2ccccc2)o1.

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

The InChIKey is CEYYTMJHOWRHPW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2,3)28-15-18(23-21(26)27-14-16-10-6-4-7-11-16)20-25-24-19(29-20)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,23,26)/t18-/m0/s1.

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

benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 395.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 11153644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).