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

C9H11N3O — CID 118929891

IUPAC5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn(C)nc2C)on1
InChIInChI=1S/C9H11N3O/c1-6-4-9(13-11-6)8-5-12(3)10-7(8)2/h4-5H,1-3H3
InChIKeyGUTSHXWCCCMCQQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.69
Rot. Bonds1

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

5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole (PubChem CID 118929891) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole
PubChem CID118929891
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2cn(C)nc2C)on1
InChIInChI=1S/C9H11N3O/c1-6-4-9(13-11-6)8-5-12(3)10-7(8)2/h4-5H,1-3H3
InChIKeyGUTSHXWCCCMCQQ-UHFFFAOYSA-N
XLogP1.69
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,5-dimethyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3159574
5-methyl-3-phenyl-4-(1H-pyrazol-1-ylcarbonyl)isoxazole
CID 757862
5-(1,3-dimethyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid
CID 3161121
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 57422275
Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
CID 483254
3-(1-Ethyl-5-methyl-1H-pyrazol-3-yl)-5-methyl-isoxazole
CID 483256
(E)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylprop-2-enamide
CID 57422273
3-methyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580096
3-cyclohexyl-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)isoxazole
CID 44580171
5-(5-methyl-1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3-phenylisoxazole
CID 44580285
3-(2-Ethyl-5-methyl-2H-pyrazol-3-yl)-5-methyl-isoxazole
CID 483255
5-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 3161122

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole (CID 118929891) is 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2cn(C)nc2C)on1.
What is the InChIKey of 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole?
The InChIKey is GUTSHXWCCCMCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-4-9(13-11-6)8-5-12(3)10-7(8)2/h4-5H,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole?
5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole has a molecular weight of 177.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrazol-4-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 118929891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).