N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

About N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15541041) has the molecular formula C22H25F2N5O6 and a molecular weight of 493.47 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name	N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID	15541041
Molecular Formula	C22H25F2N5O6
Molecular Weight	493.47 g/mol
Exact Mass	493.18
IUPAC Name	N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES	CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(OCCF)no4)CC3)c(F)c2)C(=O)O1
InChI	InChI=1S/C22H25F2N5O6/c1-14(30)25-12-16-13-29(22(32)34-16)15-2-3-18(17(24)10-15)27-5-7-28(8-6-27)21(31)19-11-20(26-35-19)33-9-4-23/h2-3,10-11,16H,4-9,12-13H2,1H3,(H,25,30)/t16-/m0/s1
InChIKey	REOQJRSWFBOGLC-INIZCTEOSA-N
XLogP	1.59
TPSA	117.45 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.47
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15541041) is N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cc(OCCF)no4)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is REOQJRSWFBOGLC-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25F2N5O6/c1-14(30)25-12-16-13-29(22(32)34-16)15-2-3-18(17(24)10-15)27-5-7-28(8-6-27)21(31)19-11-20(26-35-19)33-9-4-23/h2-3,10-11,16H,4-9,12-13H2,1H3,(H,25,30)/t16-/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 493.47 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[3-(2-fluoroethoxy)-1,2-oxazole-5-carbonyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15541041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).