5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole

C9H11N3O — CID 58977176

IUPAC5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole
SMILESCC(C)n1ccc(-c2cnco2)n1
InChIInChI=1S/C9H11N3O/c1-7(2)12-4-3-8(11-12)9-5-10-6-13-9/h3-7H,1-2H3
InChIKeyFOFHWRSFTAXYTL-UHFFFAOYSA-N
MW177.21 g/mol
LogP2.12
Rot. Bonds2

About 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole

5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole (PubChem CID 58977176) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole
PubChem CID58977176
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole
SMILESCC(C)n1ccc(-c2cnco2)n1
InChIInChI=1S/C9H11N3O/c1-7(2)12-4-3-8(11-12)9-5-10-6-13-9/h3-7H,1-2H3
InChIKeyFOFHWRSFTAXYTL-UHFFFAOYSA-N
XLogP2.12
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole?
The IUPAC name of 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole (CID 58977176) is 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole?
The canonical SMILES for 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole is CC(C)n1ccc(-c2cnco2)n1.
What is the InChIKey of 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole?
The InChIKey is FOFHWRSFTAXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(2)12-4-3-8(11-12)9-5-10-6-13-9/h3-7H,1-2H3.
What are the key properties of 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole?
5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole has a molecular weight of 177.21 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpyrazol-3-yl)-1,3-oxazole is sourced from PubChem (CID 58977176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).