N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide

C21H29FN4O3 — CID 70905295

About N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide

N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide (PubChem CID 70905295) has the molecular formula C21H29FN4O3 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
• PubChem CID: 70905295
• Molecular Formula: C21H29FN4O3
• Molecular Weight: 404.49 g/mol
• Exact Mass: 404.22
• IUPAC Name: N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide
• SMILES: O=C(CO)NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1
• InChI: InChI=1S/C21H29FN4O3/c22-16-3-6-19-18(13-16)21(24-29-19)26-11-9-25(10-12-26)8-7-15-1-4-17(5-2-15)23-20(28)14-27/h3,6,13,15,17,27H,1-2,4-5,7-12,14H2,(H,23,28)
• InChIKey: BKYJUXDSZFIGTN-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 81.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.49
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide?

The IUPAC name of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide (CID 70905295) is N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide?

The canonical SMILES for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide is O=C(CO)NC1CCC(CCN2CCN(c3noc4ccc(F)cc34)CC2)CC1.

What is the InChIKey of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide?

The InChIKey is BKYJUXDSZFIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O3/c22-16-3-6-19-18(13-16)21(24-29-19)26-11-9-25(10-12-26)8-7-15-1-4-17(5-2-15)23-20(28)14-27/h3,6,13,15,17,27H,1-2,4-5,7-12,14H2,(H,23,28).

What are the key properties of N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide?

N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide has a molecular weight of 404.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-hydroxyacetamide is sourced from PubChem (CID 70905295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).