4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide

C28H23ClN2O3 — CID 39361653

About 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide

4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 39361653) has the molecular formula C28H23ClN2O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
• PubChem CID: 39361653
• Molecular Formula: C28H23ClN2O3
• Molecular Weight: 470.96 g/mol
• Exact Mass: 470.14
• IUPAC Name: 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide
• SMILES: CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1
• InChI: InChI=1S/C28H23ClN2O3/c1-3-17(2)33-20-13-10-18(11-14-20)27(32)30-19-12-15-26-25(16-19)31-28(34-26)23-8-4-7-22-21(23)6-5-9-24(22)29/h4-17H,3H2,1-2H3,(H,30,32)/t17-/m0/s1
• InChIKey: YZSISEQJLSRNSC-KRWDZBQOSA-N
• XLogP: 7.73
• TPSA: 64.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.96
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide?

The IUPAC name of 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide (CID 39361653) is 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide.

What is the SMILES notation for 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide?

The canonical SMILES for 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide is CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1.

What is the InChIKey of 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide?

The InChIKey is YZSISEQJLSRNSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C28H23ClN2O3/c1-3-17(2)33-20-13-10-18(11-14-20)27(32)30-19-12-15-26-25(16-19)31-28(34-26)23-8-4-7-22-21(23)6-5-9-24(22)29/h4-17H,3H2,1-2H3,(H,30,32)/t17-/m0/s1.

What are the key properties of 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide?

4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 470.96 g/mol, XLogP of 7.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2S)-butan-2-yl]oxy-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 39361653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).