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

C12H15N3O — CID 175059442

IUPAC5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole
SMILESCC(C)n1ccc(-c2cc(C3CC3)on2)n1
InChIInChI=1S/C12H15N3O/c1-8(2)15-6-5-10(13-15)11-7-12(16-14-11)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyRHSRCCHNSJPXHB-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.00
Rot. Bonds3

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

5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole (PubChem CID 175059442) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole
PubChem CID175059442
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole
SMILESCC(C)n1ccc(-c2cc(C3CC3)on2)n1
InChIInChI=1S/C12H15N3O/c1-8(2)15-6-5-10(13-15)11-7-12(16-14-11)9-3-4-9/h5-9H,3-4H2,1-2H3
InChIKeyRHSRCCHNSJPXHB-UHFFFAOYSA-N
XLogP3.00
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole (CID 175059442) is 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole is CC(C)n1ccc(-c2cc(C3CC3)on2)n1.
What is the InChIKey of 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole?
The InChIKey is RHSRCCHNSJPXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)15-6-5-10(13-15)11-7-12(16-14-11)9-3-4-9/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole?
5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(1-propan-2-ylpyrazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 175059442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).