(2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide

C26H26ClN3O3 — CID 55937828

About (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide

(2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide (PubChem CID 55937828) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide
• PubChem CID: 55937828
• Molecular Formula: C26H26ClN3O3
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.17
• IUPAC Name: (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide
• SMILES: COc1ccc2cc([C@H](C)C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)ccc2c1
• InChI: InChI=1S/C26H26ClN3O3/c1-16(2)30(15-24-28-29-25(33-24)22-7-5-6-8-23(22)27)26(31)17(3)18-9-10-20-14-21(32-4)12-11-19(20)13-18/h5-14,16-17H,15H2,1-4H3/t17-/m0/s1
• InChIKey: VPKWNJAKBQMKDL-KRWDZBQOSA-N
• XLogP: 6.09
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide?

The IUPAC name of (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide (CID 55937828) is (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide.

What is the SMILES notation for (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide?

The canonical SMILES for (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide is COc1ccc2cc([C@H](C)C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)ccc2c1.

What is the InChIKey of (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide?

The InChIKey is VPKWNJAKBQMKDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-16(2)30(15-24-28-29-25(33-24)22-7-5-6-8-23(22)27)26(31)17(3)18-9-10-20-14-21(32-4)12-11-19(20)13-18/h5-14,16-17H,15H2,1-4H3/t17-/m0/s1.

What are the key properties of (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide?

(2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide has a molecular weight of 463.97 g/mol, XLogP of 6.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-methoxynaphthalen-2-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55937828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).