3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole

C12H17N3O2 — CID 71971325

IUPAC3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1noc(C)c1COc1c(C)nn(C)c1C
InChIInChI=1S/C12H17N3O2/c1-7-11(10(4)17-14-7)6-16-12-8(2)13-15(5)9(12)3/h6H2,1-5H3
InChIKeyIDRZKWQJQFLKEA-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.22
Rot. Bonds3

About 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole

3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole (PubChem CID 71971325) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
PubChem CID71971325
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole
SMILESCc1noc(C)c1COc1c(C)nn(C)c1C
InChIInChI=1S/C12H17N3O2/c1-7-11(10(4)17-14-7)6-16-12-8(2)13-15(5)9(12)3/h6H2,1-5H3
InChIKeyIDRZKWQJQFLKEA-UHFFFAOYSA-N
XLogP2.22
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethylbenzaldehyde
CID 28825712
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 29097096
5-methyl-4-[(4-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488545
3,5-dichloro-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771268
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3,5-dimethoxybenzaldehyde
CID 43516639
4-[(3-imidazol-1-ylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71984752
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614814
[3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 43516207
[3-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanamine
CID 112607696
4-cyclopropyl-3-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-triazole
CID 97127132
3,5-dichloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzaldehyde
CID 43516003
4-[(2,6-dimethylphenoxy)methyl]-N-[3,5-dimethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19486289

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole (CID 71971325) is 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole is Cc1noc(C)c1COc1c(C)nn(C)c1C.
What is the InChIKey of 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole?
The InChIKey is IDRZKWQJQFLKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-11(10(4)17-14-7)6-16-12-8(2)13-15(5)9(12)3/h6H2,1-5H3.
What are the key properties of 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole?
3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole has a molecular weight of 235.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 71971325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).