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

C11H15N3O — CID 75496352

IUPAC3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole
SMILESCCc1noc(C)c1Cn1ccc(C)n1
InChIInChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3
InChIKeyONVCGJKKLHRQQB-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.10
Rot. Bonds3

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

3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole (PubChem CID 75496352) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole
PubChem CID75496352
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole
SMILESCCc1noc(C)c1Cn1ccc(C)n1
InChIInChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3
InChIKeyONVCGJKKLHRQQB-UHFFFAOYSA-N
XLogP2.10
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole (CID 75496352) is 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole is CCc1noc(C)c1Cn1ccc(C)n1.
What is the InChIKey of 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is ONVCGJKKLHRQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-11-10(9(3)15-13-11)7-14-6-5-8(2)12-14/h5-6H,4,7H2,1-3H3.
What are the key properties of 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole?
3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 205.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 75496352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).