5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole

C12H17N3O — CID 169167384

IUPAC5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole
SMILESCCC(C)c1cnc(-c2cnn(C)c2C)o1
InChIInChI=1S/C12H17N3O/c1-5-8(2)11-7-13-12(16-11)10-6-14-15(4)9(10)3/h6-8H,5H2,1-4H3
InChIKeyCHFKUZRMUIQMKB-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.90
Rot. Bonds3

About 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole

5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole (PubChem CID 169167384) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole
PubChem CID169167384
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole
SMILESCCC(C)c1cnc(-c2cnn(C)c2C)o1
InChIInChI=1S/C12H17N3O/c1-5-8(2)11-7-13-12(16-11)10-6-14-15(4)9(10)3/h6-8H,5H2,1-4H3
InChIKeyCHFKUZRMUIQMKB-UHFFFAOYSA-N
XLogP2.90
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole?
The IUPAC name of 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole (CID 169167384) is 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole?
The canonical SMILES for 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole is CCC(C)c1cnc(-c2cnn(C)c2C)o1.
What is the InChIKey of 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole?
The InChIKey is CHFKUZRMUIQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-5-8(2)11-7-13-12(16-11)10-6-14-15(4)9(10)3/h6-8H,5H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole?
5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole has a molecular weight of 219.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(1,5-dimethylpyrazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 169167384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).