(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

C7H10N4O2 — CID 66893932

IUPAC(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccn(C[C@@H]2CNC(=O)O2)n1
InChIInChI=1S/C7H10N4O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H2,8,10)(H,9,12)/t5-/m0/s1
InChIKeyUMYZMBMNMGVIEP-YFKPBYRVSA-N
MW182.18 g/mol
LogP-0.43
Rot. Bonds2

About (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one

(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 66893932) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID66893932
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESNc1ccn(C[C@@H]2CNC(=O)O2)n1
InChIInChI=1S/C7H10N4O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H2,8,10)(H,9,12)/t5-/m0/s1
InChIKeyUMYZMBMNMGVIEP-YFKPBYRVSA-N
XLogP-0.43
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one (CID 66893932) is (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is Nc1ccn(C[C@@H]2CNC(=O)O2)n1.
What is the InChIKey of (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UMYZMBMNMGVIEP-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N4O2/c8-6-1-2-11(10-6)4-5-3-9-7(12)13-5/h1-2,5H,3-4H2,(H2,8,10)(H,9,12)/t5-/m0/s1.
What are the key properties of (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one?
(5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 182.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66893932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).