2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C17H17FN4O4 — CID 174448031

IUPAC2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESCOc1ncc(-c2ccc(N3CC(C(C)C(N)=O)OC3=O)cc2F)cn1
InChIInChI=1S/C17H17FN4O4/c1-9(15(19)23)14-8-22(17(24)26-14)11-3-4-12(13(18)5-11)10-6-20-16(25-2)21-7-10/h3-7,9,14H,8H2,1-2H3,(H2,19,23)
InChIKeyXMFYFPJCIKUHDO-UHFFFAOYSA-N
MW360.35 g/mol
LogP1.74
Rot. Bonds5

About 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174448031) has the molecular formula C17H17FN4O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
PubChem CID174448031
Molecular FormulaC17H17FN4O4
Molecular Weight360.35 g/mol
Exact Mass360.12
IUPAC Name2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESCOc1ncc(-c2ccc(N3CC(C(C)C(N)=O)OC3=O)cc2F)cn1
InChIInChI=1S/C17H17FN4O4/c1-9(15(19)23)14-8-22(17(24)26-14)11-3-4-12(13(18)5-11)10-6-20-16(25-2)21-7-10/h3-7,9,14H,8H2,1-2H3,(H2,19,23)
InChIKeyXMFYFPJCIKUHDO-UHFFFAOYSA-N
XLogP1.74
TPSA107.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461287
(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174448022
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-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461396
(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
(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
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-[5-[2-fluoro-4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-pyridinyl]-2-hydroxypropanamide
CID 23438593
(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 67012308
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 174448031) is 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is COc1ncc(-c2ccc(N3CC(C(C)C(N)=O)OC3=O)cc2F)cn1.
What is the InChIKey of 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is XMFYFPJCIKUHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O4/c1-9(15(19)23)14-8-22(17(24)26-14)11-3-4-12(13(18)5-11)10-6-20-16(25-2)21-7-10/h3-7,9,14H,8H2,1-2H3,(H2,19,23).
What are the key properties of 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 360.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-fluoro-4-(2-methoxypyrimidin-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174448031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).