N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide

C21H26F2N6O4 — CID 143415460

About N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143415460) has the molecular formula C21H26F2N6O4 and a molecular weight of 464.47 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 143415460
• Molecular Formula: C21H26F2N6O4
• Molecular Weight: 464.47 g/mol
• Exact Mass: 464.20
• IUPAC Name: N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(n4cc(C(C)=O)nn4)CC3)c(F)c2)C(O)O1
• InChI: InChI=1S/C21H26F2N6O4/c1-12(30)19-11-29(26-25-19)14-3-5-27(6-4-14)20-17(22)7-15(8-18(20)23)28-10-16(33-21(28)32)9-24-13(2)31/h7-8,11,14,16,21,32H,3-6,9-10H2,1-2H3,(H,24,31)/t16-,21?/m0/s1
• InChIKey: YVGOSKDMINPBAG-BJQOMGFOSA-N
• XLogP: 1.22
• TPSA: 112.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.47
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143415460) is N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(n4cc(C(C)=O)nn4)CC3)c(F)c2)C(O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is YVGOSKDMINPBAG-BJQOMGFOSA-N. The full InChI is InChI=1S/C21H26F2N6O4/c1-12(30)19-11-29(26-25-19)14-3-5-27(6-4-14)20-17(22)7-15(8-18(20)23)28-10-16(33-21(28)32)9-24-13(2)31/h7-8,11,14,16,21,32H,3-6,9-10H2,1-2H3,(H,24,31)/t16-,21?/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 464.47 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-(4-acetyltriazol-1-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-hydroxy-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143415460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).