3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one

C25H30FN5O2S — CID 143415334

IUPAC3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
SMILESC=NN(/C=C\C(C)C)CC1CN(c2ccc(-c3ccc(N4CCSCC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H30FN5O2S/c1-18(2)8-9-30(27-3)16-21-17-31(25(32)33-21)20-5-6-22(23(26)14-20)19-4-7-24(28-15-19)29-10-12-34-13-11-29/h4-9,14-15,18,21H,3,10-13,16-17H2,1-2H3/b9-8-
InChIKeyCATRFEWVHBYNLJ-HJWRWDBZSA-N
MW483.61 g/mol
LogP4.85
Rot. Bonds8

About 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one

3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 143415334) has the molecular formula C25H30FN5O2S and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
PubChem CID143415334
Molecular FormulaC25H30FN5O2S
Molecular Weight483.61 g/mol
Exact Mass483.21
IUPAC Name3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
SMILESC=NN(/C=C\C(C)C)CC1CN(c2ccc(-c3ccc(N4CCSCC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C25H30FN5O2S/c1-18(2)8-9-30(27-3)16-21-17-31(25(32)33-21)20-5-6-22(23(26)14-20)19-4-7-24(28-15-19)29-10-12-34-13-11-29/h4-9,14-15,18,21H,3,10-13,16-17H2,1-2H3/b9-8-
InChIKeyCATRFEWVHBYNLJ-HJWRWDBZSA-N
XLogP4.85
TPSA61.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461303
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)-3-[3-fluoro-4-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 91166814
N-[(5S)-3-[3-fluoro-4-(6-piperazin-1-yl-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]-N-methylacetamide
CID 67550647
(5R)-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-5-[[methyl-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one
CID 143415345
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
[(5R)-3-[3-fluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 56928410
5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 143415420
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
2-[3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461287

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one (CID 143415334) is 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one is C=NN(/C=C\C(C)C)CC1CN(c2ccc(-c3ccc(N4CCSCC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is CATRFEWVHBYNLJ-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H30FN5O2S/c1-18(2)8-9-30(27-3)16-21-17-31(25(32)33-21)20-5-6-22(23(26)14-20)19-4-7-24(28-15-19)29-10-12-34-13-11-29/h4-9,14-15,18,21H,3,10-13,16-17H2,1-2H3/b9-8-.
What are the key properties of 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one?
3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 483.61 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(6-thiomorpholin-4-yl-3-pyridinyl)phenyl]-5-[[[(Z)-3-methylbut-1-enyl]-(methylideneamino)amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143415334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).