3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one

C7H9N3O2 — CID 118061276

IUPAC3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
SMILESCn1ccc(N2CCOC2=O)n1
InChIInChI=1S/C7H9N3O2/c1-9-3-2-6(8-9)10-4-5-12-7(10)11/h2-3H,4-5H2,1H3
InChIKeyBFQNHBJIYRSAGX-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.38
Rot. Bonds1

About 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one

3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one (PubChem CID 118061276) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
PubChem CID118061276
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one
SMILESCn1ccc(N2CCOC2=O)n1
InChIInChI=1S/C7H9N3O2/c1-9-3-2-6(8-9)10-4-5-12-7(10)11/h2-3H,4-5H2,1H3
InChIKeyBFQNHBJIYRSAGX-UHFFFAOYSA-N
XLogP0.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one (CID 118061276) is 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one is Cn1ccc(N2CCOC2=O)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is BFQNHBJIYRSAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-9-3-2-6(8-9)10-4-5-12-7(10)11/h2-3H,4-5H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one?
3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 167.17 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 118061276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).