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

C16H18FN5O2 — CID 135338162

IUPACN'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
SMILESC/C(N)=N\C[C@H]1CN(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)/t12-/m0/s1
InChIKeyJPZBVIVXNHLGGR-LBPRGKRZSA-N
MW331.35 g/mol
LogP1.93
Rot. Bonds4

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

N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide (PubChem CID 135338162) has the molecular formula C16H18FN5O2 and a molecular weight of 331.35 g/mol. Its IUPAC name is N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
PubChem CID135338162
Molecular FormulaC16H18FN5O2
Molecular Weight331.35 g/mol
Exact Mass331.14
IUPAC NameN'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide
SMILESC/C(N)=N\C[C@H]1CN(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)/t12-/m0/s1
InChIKeyJPZBVIVXNHLGGR-LBPRGKRZSA-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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Related Compounds

Rwj-416457
CID 15984076
3-[2-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16188420
3-[2-({[3-(3-fluorophenyl)-1-(3-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16189204
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 44589915
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477479
3-[2-({[3-(3-methylphenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)ethyl]-1,3-oxazolidin-2-one
CID 16192386
[(2R)-3-methyl-1-[5-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589740
(5R)-3-[3-Fluoro-4-(1-methyl-1H-1,2,3-triazol-4-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10337483
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 11199935
N-[[(5S)-3-(3-fluoro-4-pyrazolo[1,5-a]pyridin-6-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 68374658
N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10735311
N-[[(5S)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44430618

Frequently Asked Questions

What is the IUPAC name of N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The IUPAC name of N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide (CID 135338162) is N'-[[(5S)-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'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The canonical SMILES for N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide is C/C(N)=N\C[C@H]1CN(c2ccc(-c3ccnn3C)c(F)c2)C(=O)O1.
What is the InChIKey of N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
The InChIKey is JPZBVIVXNHLGGR-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of N'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide?
N'-[[(5S)-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'-[[(5S)-3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanimidamide is sourced from PubChem (CID 135338162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).