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

C15H15FN4O3 — CID 67702989

IUPACN-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN4O3/c1-9(21)19-7-11-8-20(15(22)23-11)10-2-3-12(13(16)6-10)14-17-4-5-18-14/h2-6,11H,7-8H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1
InChIKeyJPCIPOUDEUTHPW-NSHDSACASA-N
MW318.31 g/mol
LogP1.68
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 67702989) has the molecular formula C15H15FN4O3 and a molecular weight of 318.31 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID67702989
Molecular FormulaC15H15FN4O3
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-c3ncc[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN4O3/c1-9(21)19-7-11-8-20(15(22)23-11)10-2-3-12(13(16)6-10)14-17-4-5-18-14/h2-6,11H,7-8H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1
InChIKeyJPCIPOUDEUTHPW-NSHDSACASA-N
XLogP1.68
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.68
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-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 67702989) is N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ncc[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JPCIPOUDEUTHPW-NSHDSACASA-N. The full InChI is InChI=1S/C15H15FN4O3/c1-9(21)19-7-11-8-20(15(22)23-11)10-2-3-12(13(16)6-10)14-17-4-5-18-14/h2-6,11H,7-8H2,1H3,(H,17,18)(H,19,21)/t11-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 318.31 g/mol, XLogP of 1.68, 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-(1H-imidazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 67702989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).