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

C17H21FN2O4 — CID 15951366

IUPACN-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C17H21FN2O4/c1-10(21)19-8-14-9-20(17(22)24-14)12-3-4-15(16(18)7-12)11-5-13(6-11)23-2/h3-4,7,11,13-14H,5-6,8-9H2,1-2H3,(H,19,21)/t11?,13?,14-/m0/s1
InChIKeyICNUCZIYYWDOEM-UBHUBRDASA-N
MW336.36 g/mol
LogP2.18
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 15951366) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID15951366
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCOC1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1
InChIInChI=1S/C17H21FN2O4/c1-10(21)19-8-14-9-20(17(22)24-14)12-3-4-15(16(18)7-12)11-5-13(6-11)23-2/h3-4,7,11,13-14H,5-6,8-9H2,1-2H3,(H,19,21)/t11?,13?,14-/m0/s1
InChIKeyICNUCZIYYWDOEM-UBHUBRDASA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 15951366) is N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is COC1CC(c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)C1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is ICNUCZIYYWDOEM-UBHUBRDASA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-10(21)19-8-14-9-20(17(22)24-14)12-3-4-15(16(18)7-12)11-5-13(6-11)23-2/h3-4,7,11,13-14H,5-6,8-9H2,1-2H3,(H,19,21)/t11?,13?,14-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-(3-methoxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 15951366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).