N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

C29H31N3O3 — CID 139582697

About N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide

N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 139582697) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 139582697
• Molecular Formula: C29H31N3O3
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.24
• IUPAC Name: N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
• SMILES: CC(C)c1ccc(C(CNC(=O)c2cc(-c3ccc4ccccc4c3)on2)N2CCOCC2)cc1
• InChI: InChI=1S/C29H31N3O3/c1-20(2)21-7-10-23(11-8-21)27(32-13-15-34-16-14-32)19-30-29(33)26-18-28(35-31-26)25-12-9-22-5-3-4-6-24(22)17-25/h3-12,17-18,20,27H,13-16,19H2,1-2H3,(H,30,33)
• InChIKey: SCXMHCZFTDSVLC-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide (CID 139582697) is N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1ccc(C(CNC(=O)c2cc(-c3ccc4ccccc4c3)on2)N2CCOCC2)cc1.

What is the InChIKey of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is SCXMHCZFTDSVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20(2)21-7-10-23(11-8-21)27(32-13-15-34-16-14-32)19-30-29(33)26-18-28(35-31-26)25-12-9-22-5-3-4-6-24(22)17-25/h3-12,17-18,20,27H,13-16,19H2,1-2H3,(H,30,33).

What are the key properties of N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide?

N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).