(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

C17H17FN4O3 — CID 174448022

IUPAC(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESC[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(N)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O3/c1-9(16(20)23)14-8-22(17(24)25-14)11-3-4-12(13(18)6-11)10-2-5-15(19)21-7-10/h2-7,9,14H,8H2,1H3,(H2,19,21)(H2,20,23)/t9-,14?/m0/s1
InChIKeyKXBYEZOGJIFVBB-CUVJYRNJSA-N
MW344.35 g/mol
LogP1.92
Rot. Bonds4

About (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide

(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (PubChem CID 174448022) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
PubChem CID174448022
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
SMILESC[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(N)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN4O3/c1-9(16(20)23)14-8-22(17(24)25-14)11-3-4-12(13(18)6-11)10-2-5-15(19)21-7-10/h2-7,9,14H,8H2,1H3,(H2,19,21)(H2,20,23)/t9-,14?/m0/s1
InChIKeyKXBYEZOGJIFVBB-CUVJYRNJSA-N
XLogP1.92
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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
(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
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-[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 (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The IUPAC name of (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide (CID 174448022) is (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide.
What is the SMILES notation for (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The canonical SMILES for (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is C[C@H](C(N)=O)C1CN(c2ccc(-c3ccc(N)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
The InChIKey is KXBYEZOGJIFVBB-CUVJYRNJSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-9(16(20)23)14-8-22(17(24)25-14)11-3-4-12(13(18)6-11)10-2-5-15(19)21-7-10/h2-7,9,14H,8H2,1H3,(H2,19,21)(H2,20,23)/t9-,14?/m0/s1.
What are the key properties of (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide?
(2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide has a molecular weight of 344.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[4-(6-amino-3-pyridinyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide is sourced from PubChem (CID 174448022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).