[1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate

C32H29BrN2O3 — CID 59976490

About [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate

[1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate (PubChem CID 59976490) has the molecular formula C32H29BrN2O3 and a molecular weight of 569.50 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

Molecular Properties

• Compound Name: [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
• PubChem CID: 59976490
• Molecular Formula: C32H29BrN2O3
• Molecular Weight: 569.50 g/mol
• Exact Mass: 568.14
• IUPAC Name: [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate
• SMILES: Cc1oc(-c2ccccc2)nc1CCC(OC(=O)N[C@H](C)c1cccc2ccccc12)c1ccc(Br)cc1
• InChI: InChI=1S/C32H29BrN2O3/c1-21(27-14-8-12-23-9-6-7-13-28(23)27)34-32(36)38-30(24-15-17-26(33)18-16-24)20-19-29-22(2)37-31(35-29)25-10-4-3-5-11-25/h3-18,21,30H,19-20H2,1-2H3,(H,34,36)/t21-,30?/m1/s1
• InChIKey: QCNQXDVCULKPPT-BPADPFCFSA-N
• XLogP: 8.73
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.50
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?

The IUPAC name of [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate (CID 59976490) is [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate.

What is the SMILES notation for [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?

The canonical SMILES for [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate is Cc1oc(-c2ccccc2)nc1CCC(OC(=O)N[C@H](C)c1cccc2ccccc12)c1ccc(Br)cc1.

What is the InChIKey of [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?

The InChIKey is QCNQXDVCULKPPT-BPADPFCFSA-N. The full InChI is InChI=1S/C32H29BrN2O3/c1-21(27-14-8-12-23-9-6-7-13-28(23)27)34-32(36)38-30(24-15-17-26(33)18-16-24)20-19-29-22(2)37-31(35-29)25-10-4-3-5-11-25/h3-18,21,30H,19-20H2,1-2H3,(H,34,36)/t21-,30?/m1/s1.

What are the key properties of [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate?

[1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate has a molecular weight of 569.50 g/mol, XLogP of 8.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-bromophenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl] N-[(1R)-1-naphthalen-1-ylethyl]carbamate is sourced from PubChem (CID 59976490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).