3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

C15H14Cl2N4O3 — CID 84580703

IUPAC3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCn1nccc1N1CC(CNC(=O)c2ccc(Cl)c(Cl)c2)OC1=O
InChIInChI=1S/C15H14Cl2N4O3/c1-20-13(4-5-19-20)21-8-10(24-15(21)23)7-18-14(22)9-2-3-11(16)12(17)6-9/h2-6,10H,7-8H2,1H3,(H,18,22)
InChIKeyJHPJOTKHZZWETR-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.48
Rot. Bonds4

About 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide

3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (PubChem CID 84580703) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
PubChem CID84580703
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
SMILESCn1nccc1N1CC(CNC(=O)c2ccc(Cl)c(Cl)c2)OC1=O
InChIInChI=1S/C15H14Cl2N4O3/c1-20-13(4-5-19-20)21-8-10(24-15(21)23)7-18-14(22)9-2-3-11(16)12(17)6-9/h2-6,10H,7-8H2,1H3,(H,18,22)
InChIKeyJHPJOTKHZZWETR-UHFFFAOYSA-N
XLogP2.48
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-phenylbenzamide
CID 84579634
N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 84582118
N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 84579789
3-(4-ethylphenyl)-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 112532685
3,4-dichloro-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180754
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-methylbenzamide
CID 16921024
3-chloro-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]benzamide
CID 110710353
N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]pyridine-4-carboxamide
CID 110710356
3,4-dimethyl-N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327775
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 16921039
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-methoxybenzamide
CID 16921029

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide (CID 84580703) is 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is Cn1nccc1N1CC(CNC(=O)c2ccc(Cl)c(Cl)c2)OC1=O.
What is the InChIKey of 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
The InChIKey is JHPJOTKHZZWETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c1-20-13(4-5-19-20)21-8-10(24-15(21)23)7-18-14(22)9-2-3-11(16)12(17)6-9/h2-6,10H,7-8H2,1H3,(H,18,22).
What are the key properties of 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide?
3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide has a molecular weight of 369.21 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[3-(2-methylpyrazol-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide is sourced from PubChem (CID 84580703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).