[(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate

C26H21N3O3 — CID 141284386

About [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate

[(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate (PubChem CID 141284386) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate.

Molecular Properties

• Compound Name: [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate
• PubChem CID: 141284386
• Molecular Formula: C26H21N3O3
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.16
• IUPAC Name: [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate
• SMILES: Cc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1C#N
• InChI: InChI=1S/C26H21N3O3/c1-17-24(28-26(30)31-18(2)23-11-7-6-10-22(23)16-27)25(32-29-17)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-15,18H,1-2H3,(H,28,30)/t18-/m1/s1
• InChIKey: PKGVIEVXRCZUJY-GOSISDBHSA-N
• XLogP: 6.50
• TPSA: 88.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate?

The IUPAC name of [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate (CID 141284386) is [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate.

What is the SMILES notation for [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate?

The canonical SMILES for [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1C#N.

What is the InChIKey of [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate?

The InChIKey is PKGVIEVXRCZUJY-GOSISDBHSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-17-24(28-26(30)31-18(2)23-11-7-6-10-22(23)16-27)25(32-29-17)21-14-12-20(13-15-21)19-8-4-3-5-9-19/h3-15,18H,1-2H3,(H,28,30)/t18-/m1/s1.

What are the key properties of [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate?

[(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate has a molecular weight of 423.47 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 141284386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).