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

C10H13N3O — CID 173138031

IUPAC2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2cc(C)c(C)n2)o1
InChIInChI=1S/C10H13N3O/c1-7-5-13(12-9(7)3)6-10-11-4-8(2)14-10/h4-5H,6H2,1-3H3
InChIKeyYFOMFPQQKOQOOK-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.84
Rot. Bonds2

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

2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole (PubChem CID 173138031) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole
PubChem CID173138031
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(Cn2cc(C)c(C)n2)o1
InChIInChI=1S/C10H13N3O/c1-7-5-13(12-9(7)3)6-10-11-4-8(2)14-10/h4-5H,6H2,1-3H3
InChIKeyYFOMFPQQKOQOOK-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole (CID 173138031) is 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole is Cc1cnc(Cn2cc(C)c(C)n2)o1.
What is the InChIKey of 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole?
The InChIKey is YFOMFPQQKOQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7-5-13(12-9(7)3)6-10-11-4-8(2)14-10/h4-5H,6H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole?
2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole has a molecular weight of 191.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 173138031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).