N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C17H16FN5O3 — CID 69174621

IUPACN-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ncc(CC#N)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN5O3/c1-10(24)20-8-13-9-23(17(25)26-13)12-2-3-14(15(18)6-12)16-21-7-11(22-16)4-5-19/h2-3,6-7,13H,4,8-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyPFIOMNDMCOWBLI-UHFFFAOYSA-N
MW357.35 g/mol
LogP1.74
Rot. Bonds5

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

N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 69174621) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID69174621
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC NameN-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ncc(CC#N)[nH]3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H16FN5O3/c1-10(24)20-8-13-9-23(17(25)26-13)12-2-3-14(15(18)6-12)16-21-7-11(22-16)4-5-19/h2-3,6-7,13H,4,8-9H2,1H3,(H,20,24)(H,21,22)
InChIKeyPFIOMNDMCOWBLI-UHFFFAOYSA-N
XLogP1.74
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 69174621) is N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ncc(CC#N)[nH]3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is PFIOMNDMCOWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-10(24)20-8-13-9-23(17(25)26-13)12-2-3-14(15(18)6-12)16-21-7-11(22-16)4-5-19/h2-3,6-7,13H,4,8-9H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 357.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[5-(cyanomethyl)-1H-imidazol-2-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 69174621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).