3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

C12H17N3O — CID 122155142

IUPAC3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc(C(C)(C)C)n2)no1
InChIInChI=1S/C12H17N3O/c1-9-7-10(14-16-9)8-15-6-5-11(13-15)12(2,3)4/h5-7H,8H2,1-4H3
InChIKeyVYGYQZNYLGKVHZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.53
Rot. Bonds2

About 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 122155142) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID122155142
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc(C(C)(C)C)n2)no1
InChIInChI=1S/C12H17N3O/c1-9-7-10(14-16-9)8-15-6-5-11(13-15)12(2,3)4/h5-7H,8H2,1-4H3
InChIKeyVYGYQZNYLGKVHZ-UHFFFAOYSA-N
XLogP2.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (CID 122155142) is 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2ccc(C(C)(C)C)n2)no1.
What is the InChIKey of 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is VYGYQZNYLGKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9-7-10(14-16-9)8-15-6-5-11(13-15)12(2,3)4/h5-7H,8H2,1-4H3.
What are the key properties of 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 219.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 122155142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).