1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone

C9H10N4O2 — CID 67547293

IUPAC1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cn2ccc(N)n2)o1
InChIInChI=1S/C9H10N4O2/c1-6(14)7-4-11-9(15-7)5-13-3-2-8(10)12-13/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyNEELXUMHKQWXCZ-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.70
Rot. Bonds3

About 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone

1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone (PubChem CID 67547293) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone
PubChem CID67547293
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Cn2ccc(N)n2)o1
InChIInChI=1S/C9H10N4O2/c1-6(14)7-4-11-9(15-7)5-13-3-2-8(10)12-13/h2-4H,5H2,1H3,(H2,10,12)
InChIKeyNEELXUMHKQWXCZ-UHFFFAOYSA-N
XLogP0.70
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone (CID 67547293) is 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone is CC(=O)c1cnc(Cn2ccc(N)n2)o1.
What is the InChIKey of 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The InChIKey is NEELXUMHKQWXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6(14)7-4-11-9(15-7)5-13-3-2-8(10)12-13/h2-4H,5H2,1H3,(H2,10,12).
What are the key properties of 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone?
1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone has a molecular weight of 206.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 67547293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).