2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C25H28FN5O4 — CID 174461303

IUPAC2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESC/C=C/C(=O)N1CCN(c2ccc(-c3ccc(N4CC(C(C)C(N)=O)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C25H28FN5O4/c1-3-4-23(32)30-11-9-29(10-12-30)22-8-5-17(14-28-22)19-7-6-18(13-20(19)26)31-15-21(35-25(31)34)16(2)24(27)33/h3-8,13-14,16,21H,9-12,15H2,1-2H3,(H2,27,33)/b4-3+
InChIKeyUXZSIWQOBXJAJE-ONEGZZNKSA-N
MW481.53 g/mol
LogP2.56
Rot. Bonds6

About 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174461303) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
PubChem CID174461303
Molecular FormulaC25H28FN5O4
Molecular Weight481.53 g/mol
Exact Mass481.21
IUPAC Name2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESC/C=C/C(=O)N1CCN(c2ccc(-c3ccc(N4CC(C(C)C(N)=O)OC4=O)cc3F)cn2)CC1
InChIInChI=1S/C25H28FN5O4/c1-3-4-23(32)30-11-9-29(10-12-30)22-8-5-17(14-28-22)19-7-6-18(13-20(19)26)31-15-21(35-25(31)34)16(2)24(27)33/h3-8,13-14,16,21H,9-12,15H2,1-2H3,(H2,27,33)/b4-3+
InChIKeyUXZSIWQOBXJAJE-ONEGZZNKSA-N
XLogP2.56
TPSA109.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(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
(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448022
2-[3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461287
2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448031
(2S)-2-[3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461396
[(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
methyl 5-[4-[5-[(2S)-1-amino-1-oxopropan-2-yl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyridine-3-carboxylate
CID 174461293
(2S)-2-[3-[3-fluoro-4-[6-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461322
2-[3-[3-fluoro-4-[4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174633803
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of 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) is 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is C/C=C/C(=O)N1CCN(c2ccc(-c3ccc(N4CC(C(C)C(N)=O)OC4=O)cc3F)cn2)CC1.
What is the InChIKey of 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is UXZSIWQOBXJAJE-ONEGZZNKSA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-3-4-23(32)30-11-9-29(10-12-30)22-8-5-17(14-28-22)19-7-6-18(13-20(19)26)31-15-21(35-25(31)34)16(2)24(27)33/h3-8,13-14,16,21H,9-12,15H2,1-2H3,(H2,27,33)/b4-3+.
What are the key properties of 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 481.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[6-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).