N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C23H26F3N5O3 — CID 10435143

IUPACN-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc2)C(=O)O1
InChIInChI=1S/C23H26F3N5O3/c1-16(32)27-13-20-15-31(22(33)34-20)19-6-7-21(28-12-19)30-10-8-29(9-11-30)14-17-2-4-18(5-3-17)23(24,25)26/h2-7,12,20H,8-11,13-15H2,1H3,(H,27,32)/t20-/m0/s1
InChIKeyCOSPNCBPCQWRRD-FQEVSTJZSA-N
MW477.49 g/mol
LogP2.88
Rot. Bonds6

About N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10435143) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10435143
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC NameN-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc2)C(=O)O1
InChIInChI=1S/C23H26F3N5O3/c1-16(32)27-13-20-15-31(22(33)34-20)19-6-7-21(28-12-19)30-10-8-29(9-11-30)14-17-2-4-18(5-3-17)23(24,25)26/h2-7,12,20H,8-11,13-15H2,1H3,(H,27,32)/t20-/m0/s1
InChIKeyCOSPNCBPCQWRRD-FQEVSTJZSA-N
XLogP2.88
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11739921
N-[[3-[4-[4-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 23404279
N-[[(5S)-3-[6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 169098098
N-[[3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68938793
3-[6-[4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 71120832
N-[[3-[3-fluoro-4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22274293
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
N-[[(5S)-2-oxo-3-[5-(4-piperidin-1-ylphenyl)-2-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22872368
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
O-methyl N-[[(5S)-2-oxo-3-(6-piperazin-1-yl-3-pyridinyl)-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 11552073
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10435143) is N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)nc2)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is COSPNCBPCQWRRD-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-16(32)27-13-20-15-31(22(33)34-20)19-6-7-21(28-12-19)30-10-8-29(9-11-30)14-17-2-4-18(5-3-17)23(24,25)26/h2-7,12,20H,8-11,13-15H2,1H3,(H,27,32)/t20-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 477.49 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10435143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).