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

C11H13N3O — CID 122240819

IUPAC4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESC=Cc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C11H13N3O/c1-4-10-5-12-14(6-10)7-11-8(2)13-15-9(11)3/h4-6H,1,7H2,2-3H3
InChIKeyOPPZKCNTJHNMFG-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.18
Rot. Bonds3

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

4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 122240819) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID122240819
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
SMILESC=Cc1cnn(Cc2c(C)noc2C)c1
InChIInChI=1S/C11H13N3O/c1-4-10-5-12-14(6-10)7-11-8(2)13-15-9(11)3/h4-6H,1,7H2,2-3H3
InChIKeyOPPZKCNTJHNMFG-UHFFFAOYSA-N
XLogP2.18
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-enoic acid
CID 122240811
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]prop-2-yn-1-amine
CID 122240825
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methylimidazolidine-2,4-dione
CID 57422470
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethylideneimidazolidin-4-one
CID 118075109
(5E)-5-benzylidene-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]imidazolidine-2,4-dione
CID 57462266
1-(2-chloroethyl)-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]urea
CID 57422492
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-phenyloxiran-2-yl)pyrazol-4-amine
CID 153203644
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidin-4-one
CID 123607356
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
CID 62055899
2-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1,2-dimethyl-1,2,4-triazolidin-3-yl]-2-oxoacetaldehyde
CID 174600854
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 155567505

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole (CID 122240819) is 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is C=Cc1cnn(Cc2c(C)noc2C)c1.
What is the InChIKey of 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OPPZKCNTJHNMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-4-10-5-12-14(6-10)7-11-8(2)13-15-9(11)3/h4-6H,1,7H2,2-3H3.
What are the key properties of 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole?
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 122240819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).