N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H25FN6O3 — CID 68939395

IUPACN-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCCCC3n3nc4ccccc4n3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN6O3/c1-15(31)25-13-17-14-29(23(32)33-17)16-9-10-21(18(24)12-16)28-11-5-4-8-22(28)30-26-19-6-2-3-7-20(19)27-30/h2-3,6-7,9-10,12,17,22H,4-5,8,11,13-14H2,1H3,(H,25,31)/t17-,22?/m0/s1
InChIKeyAXVJCMOCEYNSBR-LBOXEOMUSA-N
MW452.49 g/mol
LogP3.22
Rot. Bonds5

About N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68939395) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID68939395
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC NameN-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCCCC3n3nc4ccccc4n3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN6O3/c1-15(31)25-13-17-14-29(23(32)33-17)16-9-10-21(18(24)12-16)28-11-5-4-8-22(28)30-26-19-6-2-3-7-20(19)27-30/h2-3,6-7,9-10,12,17,22H,4-5,8,11,13-14H2,1H3,(H,25,31)/t17-,22?/m0/s1
InChIKeyAXVJCMOCEYNSBR-LBOXEOMUSA-N
XLogP3.22
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-[4-[4-(benzotriazol-2-yl)piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68939949
N-[[(5S)-3-[4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54112761
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CID 59994592
N-[[(5S)-3-[3-fluoro-4-(3-hydroxy-2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142714003
N-[[(5S)-3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10156789
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[3-[3-fluoro-4-(1,5-thiazocan-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 126483722
N-[[(5S)-3-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18391862

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68939395) is N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCCCC3n3nc4ccccc4n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is AXVJCMOCEYNSBR-LBOXEOMUSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-15(31)25-13-17-14-29(23(32)33-17)16-9-10-21(18(24)12-16)28-11-5-4-8-22(28)30-26-19-6-2-3-7-20(19)27-30/h2-3,6-7,9-10,12,17,22H,4-5,8,11,13-14H2,1H3,(H,25,31)/t17-,22?/m0/s1.
What are the key properties of N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 452.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[4-[2-(benzotriazol-2-yl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68939395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).