N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C25H25F4N3O5 — CID 12051219

IUPACN-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25F4N3O5/c1-15(33)30-13-20-14-32(24(35)37-20)18-5-6-22(21(26)12-18)36-19-7-9-31(10-8-19)23(34)16-3-2-4-17(11-16)25(27,28)29/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,30,33)/t20-/m0/s1
InChIKeyFFZIONYBRCPTMS-FQEVSTJZSA-N
MW523.48 g/mol
LogP3.99
Rot. Bonds6

About N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 12051219) has the molecular formula C25H25F4N3O5 and a molecular weight of 523.48 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID12051219
Molecular FormulaC25H25F4N3O5
Molecular Weight523.48 g/mol
Exact Mass523.17
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H25F4N3O5/c1-15(33)30-13-20-14-32(24(35)37-20)18-5-6-22(21(26)12-18)36-19-7-9-31(10-8-19)23(34)16-3-2-4-17(11-16)25(27,28)29/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,30,33)/t20-/m0/s1
InChIKeyFFZIONYBRCPTMS-FQEVSTJZSA-N
XLogP3.99
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 12051219) is N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(OC3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is FFZIONYBRCPTMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H25F4N3O5/c1-15(33)30-13-20-14-32(24(35)37-20)18-5-6-22(21(26)12-18)36-19-7-9-31(10-8-19)23(34)16-3-2-4-17(11-16)25(27,28)29/h2-6,11-12,19-20H,7-10,13-14H2,1H3,(H,30,33)/t20-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 523.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 12051219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).