N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide

C26H22N2O3 — CID 40615868

About N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide

N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 40615868) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
• PubChem CID: 40615868
• Molecular Formula: C26H22N2O3
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide
• SMILES: CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1
• InChI: InChI=1S/C26H22N2O3/c1-3-16(2)17-11-12-23-21(14-17)28-26(31-23)19-8-6-9-20(13-19)27-25(29)24-15-18-7-4-5-10-22(18)30-24/h4-16H,3H2,1-2H3,(H,27,29)/t16-/m0/s1
• InChIKey: WJLIYAZLRWDUMB-INIZCTEOSA-N
• XLogP: 7.01
• TPSA: 68.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide?

The IUPAC name of N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide (CID 40615868) is N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide is CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1.

What is the InChIKey of N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide?

The InChIKey is WJLIYAZLRWDUMB-INIZCTEOSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-3-16(2)17-11-12-23-21(14-17)28-26(31-23)19-8-6-9-20(13-19)27-25(29)24-15-18-7-4-5-10-22(18)30-24/h4-16H,3H2,1-2H3,(H,27,29)/t16-/m0/s1.

What are the key properties of N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide?

N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 7.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40615868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).