5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one

C7H9N3O2 — CID 63810945

IUPAC5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cccn2)O1
InChIInChI=1S/C7H9N3O2/c11-7-8-4-6(12-7)5-10-3-1-2-9-10/h1-3,6H,4-5H2,(H,8,11)
InChIKeyQUEKWXVFPYMJIT-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.01
Rot. Bonds2

About 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one

5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 63810945) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID63810945
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cn2cccn2)O1
InChIInChI=1S/C7H9N3O2/c11-7-8-4-6(12-7)5-10-3-1-2-9-10/h1-3,6H,4-5H2,(H,8,11)
InChIKeyQUEKWXVFPYMJIT-UHFFFAOYSA-N
XLogP-0.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 63810945) is 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NCC(Cn2cccn2)O1.
What is the InChIKey of 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QUEKWXVFPYMJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-7-8-4-6(12-7)5-10-3-1-2-9-10/h1-3,6H,4-5H2,(H,8,11).
What are the key properties of 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 167.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 63810945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).