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

C16H17FN4O3 — CID 10735311

IUPACN-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN4O3/c1-10-5-6-21(19-10)15-4-3-12(7-14(15)17)20-9-13(24-16(20)23)8-18-11(2)22/h3-7,13H,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyJDCZFXMUTMYEHJ-ZDUSSCGKSA-N
MW332.34 g/mol
LogP1.78
Rot. Bonds4

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

N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10735311) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10735311
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC NameN-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C16H17FN4O3/c1-10-5-6-21(19-10)15-4-3-12(7-14(15)17)20-9-13(24-16(20)23)8-18-11(2)22/h3-7,13H,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyJDCZFXMUTMYEHJ-ZDUSSCGKSA-N
XLogP1.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Rwj-416457
CID 15984076
N-[[(5S)-3-[1-(3-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273689
N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273690
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-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589741
3-ethoxy-N-[2-(1-phenylpyrazol-3-yl)ethyl]piperidine-1-carboxamide
CID 53562628
N-[[(5S)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 71477479
N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273688
N-[[(5S)-3-[1-(3-fluoro-4-morpholino-phenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273691
[(2R)-1-(3,5-dimethylpyrazol-1-yl)butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589738
[(2R)-3-methyl-1-[5-(trifluoromethyl)pyrazol-1-yl]butan-2-yl] N-(2,4-difluorophenyl)carbamate
CID 44589740

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10735311) is N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3ccc(C)n3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is JDCZFXMUTMYEHJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-10-5-6-21(19-10)15-4-3-12(7-14(15)17)20-9-13(24-16(20)23)8-18-11(2)22/h3-7,13H,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 332.34 g/mol, XLogP of 1.78, 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-(3-methylpyrazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10735311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).