N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

C26H25N3O4 — CID 130472593

About N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide

N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (PubChem CID 130472593) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
• PubChem CID: 130472593
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide
• SMILES: CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)oc2c1
• InChI: InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30)
• InChIKey: IUXDAQZCLLCHAM-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The IUPAC name of N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide (CID 130472593) is N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide.

What is the SMILES notation for N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The canonical SMILES for N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is CC(=O)NC(C)c1ccc2nc(-c3ccc(Oc4cccc(OCC5CC5)c4)cn3)oc2c1.

What is the InChIKey of N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

The InChIKey is IUXDAQZCLLCHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-16(28-17(2)30)19-8-10-23-25(12-19)33-26(29-23)24-11-9-22(14-27-24)32-21-5-3-4-20(13-21)31-15-18-6-7-18/h3-5,8-14,16,18H,6-7,15H2,1-2H3,(H,28,30).

What are the key properties of N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide?

N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[5-[3-(cyclopropylmethoxy)phenoxy]-2-pyridinyl]-1,3-benzoxazol-6-yl]ethyl]acetamide is sourced from PubChem (CID 130472593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).