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

C8H9N3O — CID 114763653

IUPAC3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1nn(C)cc1-c1ccon1
InChIInChI=1S/C8H9N3O/c1-6-7(5-11(2)9-6)8-3-4-12-10-8/h3-5H,1-2H3
InChIKeyCHGGLXQRKFUJJT-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.38
Rot. Bonds1

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

3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole (PubChem CID 114763653) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole
PubChem CID114763653
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole
SMILESCc1nn(C)cc1-c1ccon1
InChIInChI=1S/C8H9N3O/c1-6-7(5-11(2)9-6)8-3-4-12-10-8/h3-5H,1-2H3
InChIKeyCHGGLXQRKFUJJT-UHFFFAOYSA-N
XLogP1.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10617680, Example 121
CID 135355155
(3-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazol-5-yl)methanamine
CID 45602050
5-(bromomethyl)-3-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole
CID 75356273
3-(1-Phenylpyrazol-4-yl)-1,2-oxazole
CID 114763655
4-[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazole
CID 90976997
3-[(2-Fluorophenyl)methyl]-4-(1,2-oxazol-3-yl)pyrazole-1-carboximidamide
CID 118962321
3-(4-fluorophenyl)-5-methyl-4-[(Z)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
CID 141279437
3-(4-fluorophenyl)-5-methyl-4-[(E)-2-(1-methylpyrazol-3-yl)ethenyl]-1,2-oxazole
CID 141279448
3-[2-[(2-Fluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
CID 141336680
3-[2-[(2,3-Difluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole
CID 141427948
3-[2-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427955
3-[1-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427963

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole?
The IUPAC name of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole (CID 114763653) is 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole?
The canonical SMILES for 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole is Cc1nn(C)cc1-c1ccon1.
What is the InChIKey of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole?
The InChIKey is CHGGLXQRKFUJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-6-7(5-11(2)9-6)8-3-4-12-10-8/h3-5H,1-2H3.
What are the key properties of 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole?
3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazole is sourced from PubChem (CID 114763653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).