5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one

C9H14N4O2 — CID 112594225

IUPAC5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(CCn2cccn2)C(=O)O1
InChIInChI=1S/C9H14N4O2/c10-6-8-7-12(9(14)15-8)4-5-13-3-1-2-11-13/h1-3,8H,4-7,10H2
InChIKeyMYUFOPLSENSQPS-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.34
Rot. Bonds4

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

5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one (PubChem CID 112594225) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one
PubChem CID112594225
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one
SMILESNCC1CN(CCn2cccn2)C(=O)O1
InChIInChI=1S/C9H14N4O2/c10-6-8-7-12(9(14)15-8)4-5-13-3-1-2-11-13/h1-3,8H,4-7,10H2
InChIKeyMYUFOPLSENSQPS-UHFFFAOYSA-N
XLogP-0.34
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one (CID 112594225) is 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one is NCC1CN(CCn2cccn2)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one?
The InChIKey is MYUFOPLSENSQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6-8-7-12(9(14)15-8)4-5-13-3-1-2-11-13/h1-3,8H,4-7,10H2.
What are the key properties of 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one has a molecular weight of 210.24 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(2-pyrazol-1-ylethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 112594225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).