N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H17FN2O4 — CID 164623315

IUPACN-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN2O4/c1-11(22)20-9-15-10-21(18(24)25-15)13-4-7-16(17(19)8-13)12-2-5-14(23)6-3-12/h2-8,15,23H,9-10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLQYDQEZQBVOASY-HNNXBMFYSA-N
MW344.34 g/mol
LogP2.66
Rot. Bonds4

About N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 164623315) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID164623315
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ccc(O)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H17FN2O4/c1-11(22)20-9-15-10-21(18(24)25-15)13-4-7-16(17(19)8-13)12-2-5-14(23)6-3-12/h2-8,15,23H,9-10H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyLQYDQEZQBVOASY-HNNXBMFYSA-N
XLogP2.66
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 164623315) is N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(O)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is LQYDQEZQBVOASY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-11(22)20-9-15-10-21(18(24)25-15)13-4-7-16(17(19)8-13)12-2-5-14(23)6-3-12/h2-8,15,23H,9-10H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(4-hydroxyphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 164623315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).