N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide

C27H28N2O2 — CID 23908779

About N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide

N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 23908779) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
• PubChem CID: 23908779
• Molecular Formula: C27H28N2O2
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.22
• IUPAC Name: N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide
• SMILES: Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)C)cc1
• InChI: InChI=1S/C27H28N2O2/c1-16(2)19-8-10-20(11-9-19)26(30)28-23-15-22(7-6-18(23)5)27-29-24-14-21(17(3)4)12-13-25(24)31-27/h6-17H,1-5H3,(H,28,30)
• InChIKey: SDHUVTNECFJXPI-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 55.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?

The IUPAC name of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide (CID 23908779) is N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide.

What is the SMILES notation for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?

The canonical SMILES for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide is Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)C)cc1.

What is the InChIKey of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?

The InChIKey is SDHUVTNECFJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-16(2)19-8-10-20(11-9-19)26(30)28-23-15-22(7-6-18(23)5)27-29-24-14-21(17(3)4)12-13-25(24)31-27/h6-17H,1-5H3,(H,28,30).

What are the key properties of N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide?

N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 7.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 23908779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).