3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one

C9H12ClN3O2 — CID 60796486

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nn(C)c(Cl)c1CN1CCOC1=O
InChIInChI=1S/C9H12ClN3O2/c1-6-7(8(10)12(2)11-6)5-13-3-4-15-9(13)14/h3-5H2,1-2H3
InChIKeyAOBOFMWTDLEEMF-UHFFFAOYSA-N
MW229.67 g/mol
LogP1.33
Rot. Bonds2

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 60796486) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID60796486
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1nn(C)c(Cl)c1CN1CCOC1=O
InChIInChI=1S/C9H12ClN3O2/c1-6-7(8(10)12(2)11-6)5-13-3-4-15-9(13)14/h3-5H2,1-2H3
InChIKeyAOBOFMWTDLEEMF-UHFFFAOYSA-N
XLogP1.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one (CID 60796486) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one is Cc1nn(C)c(Cl)c1CN1CCOC1=O.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is AOBOFMWTDLEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-6-7(8(10)12(2)11-6)5-13-3-4-15-9(13)14/h3-5H2,1-2H3.
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 229.67 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 60796486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).