2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

C27H27ClN2O4 — CID 17116966

About 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 17116966) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
• PubChem CID: 17116966
• Molecular Formula: C27H27ClN2O4
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.17
• IUPAC Name: 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide
• SMILES: COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
• InChI: InChI=1S/C27H27ClN2O4/c1-16(2)17-6-13-24-22(14-17)29-25(33-24)18-7-12-23(32-5)21(15-18)30-26(31)27(3,4)34-20-10-8-19(28)9-11-20/h6-16H,1-5H3,(H,30,31)
• InChIKey: DXXWSIQIXBZSIR-UHFFFAOYSA-N
• XLogP: 7.08
• TPSA: 73.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide (CID 17116966) is 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide.

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

The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.

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

The InChIKey is DXXWSIQIXBZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O4/c1-16(2)17-6-13-24-22(14-17)29-25(33-24)18-7-12-23(32-5)21(15-18)30-26(31)27(3,4)34-20-10-8-19(28)9-11-20/h6-16H,1-5H3,(H,30,31).

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

2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 478.98 g/mol, XLogP of 7.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenoxy)-N-[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 17116966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).