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

C13H19N3O — CID 21334442

IUPAC5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole
SMILESCCc1oc(-c2nn(CC)c(C)c2C)nc1C
InChIInChI=1S/C13H19N3O/c1-6-11-9(4)14-13(17-11)12-8(3)10(5)16(7-2)15-12/h6-7H2,1-5H3
InChIKeyQJUQBVSABVGMDH-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.05
Rot. Bonds3

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

5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole (PubChem CID 21334442) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole
PubChem CID21334442
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole
SMILESCCc1oc(-c2nn(CC)c(C)c2C)nc1C
InChIInChI=1S/C13H19N3O/c1-6-11-9(4)14-13(17-11)12-8(3)10(5)16(7-2)15-12/h6-7H2,1-5H3
InChIKeyQJUQBVSABVGMDH-UHFFFAOYSA-N
XLogP3.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(chloromethyl)-2-(2-ethylfuran-3-yl)-4-methyl-1,3-oxazole
CID 130917849
1-ethyl-3-methoxy-4,5-dimethylpyrazole
CID 142138593
2-(5-ethyl-4-methyl-1,3-oxazol-2-yl)acetonitrile
CID 82417474
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
1,5-diethyl-3,4-dimethylpyrazole;ethane
CID 177243767
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
CID 119031976
1-ethyl-3,5-dimethyl-N-(2-pentan-3-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 71688195
5-(1-ethyl-4-fluoro-5-methylpyrazol-3-yl)-1,3-oxazole
CID 89032535
N-(1-cyclopropylpropan-2-yl)-1-ethyl-3,5-dimethylpyrazol-4-amine
CID 115929501

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole?
The IUPAC name of 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole (CID 21334442) is 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole.
What is the SMILES notation for 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole?
The canonical SMILES for 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole is CCc1oc(-c2nn(CC)c(C)c2C)nc1C.
What is the InChIKey of 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole?
The InChIKey is QJUQBVSABVGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-6-11-9(4)14-13(17-11)12-8(3)10(5)16(7-2)15-12/h6-7H2,1-5H3.
What are the key properties of 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole?
5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole has a molecular weight of 233.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole is sourced from PubChem (CID 21334442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).