(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one

C18H17FN2O4 — CID 70961505

IUPAC(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](O)c1cncc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17FN2O4/c19-14-7-13(9-20-10-14)16(22)8-17(23)21-15(11-25-18(21)24)6-12-4-2-1-3-5-12/h1-5,7,9-10,15-16,22H,6,8,11H2/t15-,16-/m0/s1
InChIKeyYRQUUYRHGSTJDE-HOTGVXAUSA-N
MW344.34 g/mol
LogP2.23
Rot. Bonds5

About (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 70961505) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID70961505
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one
SMILESO=C(C[C@H](O)c1cncc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H17FN2O4/c19-14-7-13(9-20-10-14)16(22)8-17(23)21-15(11-25-18(21)24)6-12-4-2-1-3-5-12/h1-5,7,9-10,15-16,22H,6,8,11H2/t15-,16-/m0/s1
InChIKeyYRQUUYRHGSTJDE-HOTGVXAUSA-N
XLogP2.23
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one (CID 70961505) is (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is O=C(C[C@H](O)c1cncc(F)c1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is YRQUUYRHGSTJDE-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-14-7-13(9-20-10-14)16(22)8-17(23)21-15(11-25-18(21)24)6-12-4-2-1-3-5-12/h1-5,7,9-10,15-16,22H,6,8,11H2/t15-,16-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 344.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3S)-3-(5-fluoro-3-pyridinyl)-3-hydroxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70961505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).