N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide

C16H18FN5O2 — CID 135338166

IUPACN'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
SMILESC/C(N)=N\CC1CN(c2ccc(-c3ccnn3C)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O2/c1-10(18)19-8-12-9-22(16(23)24-12)11-3-4-13(14(17)7-11)15-5-6-20-21(15)2/h3-7,12H,8-9H2,1-2H3,(H2,18,19)
InChIKeyJPZBVIVXNHLGGR-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.93
Rot. Bonds4

About N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide

N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide (PubChem CID 135338166) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
PubChem CID135338166
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC NameN'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
SMILESC/C(N)=N\CC1CN(c2ccc(-c3ccnn3C)c(F)c2)C(=O)O1
InChIInChI=1S/C16H18FN5O2/c1-10(18)19-8-12-9-22(16(23)24-12)11-3-4-13(14(17)7-11)15-5-6-20-21(15)2/h3-7,12H,8-9H2,1-2H3,(H2,18,19)
InChIKeyJPZBVIVXNHLGGR-UHFFFAOYSA-N
XLogP1.93
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The IUPAC name of N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide (CID 135338166) is N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide.
What is the SMILES notation for N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The canonical SMILES for N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide is C/C(N)=N\CC1CN(c2ccc(-c3ccnn3C)c(F)c2)C(=O)O1.
What is the InChIKey of N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The InChIKey is JPZBVIVXNHLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2/c1-10(18)19-8-12-9-22(16(23)24-12)11-3-4-13(14(17)7-11)15-5-6-20-21(15)2/h3-7,12H,8-9H2,1-2H3,(H2,18,19).
What are the key properties of N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide has a molecular weight of 331.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide is sourced from PubChem (CID 135338166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).