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

C7H9N3O2 — CID 91616820

IUPAC(5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](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)/t6-/m0/s1
InChIKeyQUEKWXVFPYMJIT-LURJTMIESA-N
MW167.17 g/mol
LogP-0.01
Rot. Bonds2

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

(5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 91616820) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID91616820
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC[C@@H](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)/t6-/m0/s1
InChIKeyQUEKWXVFPYMJIT-LURJTMIESA-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 (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 91616820) is (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1NC[C@@H](Cn2cccn2)O1.
What is the InChIKey of (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QUEKWXVFPYMJIT-LURJTMIESA-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)/t6-/m0/s1.
What are the key properties of (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-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 (5S)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 91616820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).