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

C15H15FN6O4 — CID 10808606

IUPACN-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(/C=N/O)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN6O4/c1-9(23)17-6-12-8-21(15(24)26-12)11-2-3-14(13(16)4-11)22-7-10(5-18-25)19-20-22/h2-5,7,12,25H,6,8H2,1H3,(H,17,23)/b18-5+/t12-/m0/s1
InChIKeyBVHFJVHLJTXLKO-JQVUQCBUSA-N
MW362.32 g/mol
LogP0.68
Rot. Bonds5

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

N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10808606) has the molecular formula C15H15FN6O4 and a molecular weight of 362.32 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10808606
Molecular FormulaC15H15FN6O4
Molecular Weight362.32 g/mol
Exact Mass362.11
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3cc(/C=N/O)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C15H15FN6O4/c1-9(23)17-6-12-8-21(15(24)26-12)11-2-3-14(13(16)4-11)22-7-10(5-18-25)19-20-22/h2-5,7,12,25H,6,8H2,1H3,(H,17,23)/b18-5+/t12-/m0/s1
InChIKeyBVHFJVHLJTXLKO-JQVUQCBUSA-N
XLogP0.68
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10808606) is N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(/C=N/O)nn3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BVHFJVHLJTXLKO-JQVUQCBUSA-N. The full InChI is InChI=1S/C15H15FN6O4/c1-9(23)17-6-12-8-21(15(24)26-12)11-2-3-14(13(16)4-11)22-7-10(5-18-25)19-20-22/h2-5,7,12,25H,6,8H2,1H3,(H,17,23)/b18-5+/t12-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 362.32 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[4-[(E)-hydroxyiminomethyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10808606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).