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

C10H13N3O — CID 90921675

IUPAC3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2cn(C)nc2C)no1
InChIInChI=1S/C10H13N3O/c1-7-4-10(12-14-7)5-9-6-13(3)11-8(9)2/h4,6H,5H2,1-3H3
InChIKeyBZSDAEORGOAHAZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds2

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

3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 90921675) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID90921675
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cc2cn(C)nc2C)no1
InChIInChI=1S/C10H13N3O/c1-7-4-10(12-14-7)5-9-6-13(3)11-8(9)2/h4,6H,5H2,1-3H3
InChIKeyBZSDAEORGOAHAZ-UHFFFAOYSA-N
XLogP1.62
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole (CID 90921675) is 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cc2cn(C)nc2C)no1.
What is the InChIKey of 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is BZSDAEORGOAHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-4-10(12-14-7)5-9-6-13(3)11-8(9)2/h4,6H,5H2,1-3H3.
What are the key properties of 3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole?
3-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.62, 2 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)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 90921675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).