5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole

C11H15N3O — CID 155787949

IUPAC5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole
SMILESCn1ncc(-c2cnco2)c1C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-11(2,3)10-8(5-13-14(10)4)9-6-12-7-15-9/h5-7H,1-4H3
InChIKeyLQIZFIVBUZHOLE-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.37
Rot. Bonds1

About 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole

5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole (PubChem CID 155787949) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole
PubChem CID155787949
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole
SMILESCn1ncc(-c2cnco2)c1C(C)(C)C
InChIInChI=1S/C11H15N3O/c1-11(2,3)10-8(5-13-14(10)4)9-6-12-7-15-9/h5-7H,1-4H3
InChIKeyLQIZFIVBUZHOLE-UHFFFAOYSA-N
XLogP2.37
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole?
The IUPAC name of 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole (CID 155787949) is 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole.
What is the SMILES notation for 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole?
The canonical SMILES for 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole is Cn1ncc(-c2cnco2)c1C(C)(C)C.
What is the InChIKey of 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole?
The InChIKey is LQIZFIVBUZHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(2,3)10-8(5-13-14(10)4)9-6-12-7-15-9/h5-7H,1-4H3.
What are the key properties of 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole?
5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole has a molecular weight of 205.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole is sourced from PubChem (CID 155787949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).