(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C26H33FN8O2 — CID 162510122

IUPAC(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCC1CCN(C[C@H]2CN(c3ccc(-c4ccc(-c5nnn(C)n5)nc4)c(F)c3)C(=O)O2)CC1
InChIInChI=1S/C26H33FN8O2/c1-32(2)11-8-18-9-12-34(13-10-18)16-21-17-35(26(36)37-21)20-5-6-22(23(27)14-20)19-4-7-24(28-15-19)25-29-31-33(3)30-25/h4-7,14-15,18,21H,8-13,16-17H2,1-3H3/t21-/m0/s1
InChIKeyITCYELLDQUWHDP-NRFANRHFSA-N
MW508.60 g/mol
LogP3.07
Rot. Bonds8

About (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 162510122) has the molecular formula C26H33FN8O2 and a molecular weight of 508.60 g/mol. Its IUPAC name is (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID162510122
Molecular FormulaC26H33FN8O2
Molecular Weight508.60 g/mol
Exact Mass508.27
IUPAC Name(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
SMILESCN(C)CCC1CCN(C[C@H]2CN(c3ccc(-c4ccc(-c5nnn(C)n5)nc4)c(F)c3)C(=O)O2)CC1
InChIInChI=1S/C26H33FN8O2/c1-32(2)11-8-18-9-12-34(13-10-18)16-21-17-35(26(36)37-21)20-5-6-22(23(27)14-20)19-4-7-24(28-15-19)25-29-31-33(3)30-25/h4-7,14-15,18,21H,8-13,16-17H2,1-3H3/t21-/m0/s1
InChIKeyITCYELLDQUWHDP-NRFANRHFSA-N
XLogP3.07
TPSA92.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(fluoromethyl)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 72752411
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
bis[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl] hydrogen phosphate
CID 59477107
[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 2-aminoacetate
CID 72783304
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(2-nitrosoethylamino)methyl]-1,3-oxazolidin-2-one
CID 166910275
CID 131886043
CID 131886043
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2S)-2-aminopropanoate
CID 11467041
[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl 3-(diethylamino)propanoate
CID 162510114
2-amino-N-[[(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58917774
[(2S)-1-[[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 59515984
(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461396
disodium;[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphonatoformate
CID 54586062

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 162510122) is (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is CN(C)CCC1CCN(C[C@H]2CN(c3ccc(-c4ccc(-c5nnn(C)n5)nc4)c(F)c3)C(=O)O2)CC1.
What is the InChIKey of (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ITCYELLDQUWHDP-NRFANRHFSA-N. The full InChI is InChI=1S/C26H33FN8O2/c1-32(2)11-8-18-9-12-34(13-10-18)16-21-17-35(26(36)37-21)20-5-6-22(23(27)14-20)19-4-7-24(28-15-19)25-29-31-33(3)30-25/h4-7,14-15,18,21H,8-13,16-17H2,1-3H3/t21-/m0/s1.
What are the key properties of (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 508.60 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162510122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).