5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole

C9H15NO2 — CID 59574815

IUPAC5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole
SMILESCOc1cc(CC(C)(C)C)on1
InChIInChI=1S/C9H15NO2/c1-9(2,3)6-7-5-8(11-4)10-12-7/h5H,6H2,1-4H3
InChIKeyPZKJNNYXVDXOHE-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.27
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole

5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole (PubChem CID 59574815) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole
PubChem CID59574815
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole
SMILESCOc1cc(CC(C)(C)C)on1
InChIInChI=1S/C9H15NO2/c1-9(2,3)6-7-5-8(11-4)10-12-7/h5H,6H2,1-4H3
InChIKeyPZKJNNYXVDXOHE-UHFFFAOYSA-N
XLogP2.27
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid
CID 327719
2-(3-Methoxy-1,2-oxazol-5-yl)acetonitrile
CID 84762527
(5-cyclopropyl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728304
(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728305
(5-butan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728307
(5-pentan-3-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728310
[5-(2-methylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
CID 118728312
[5-(2-methylbutyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
CID 118728313
[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl] N,N-dimethylcarbamate
CID 118728314
5-Tert-butyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 59709219
2-[(3-Methoxy-1,2-oxazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006358
[5-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl] cyanate
CID 132034797

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole (CID 59574815) is 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole is COc1cc(CC(C)(C)C)on1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole?
The InChIKey is PZKJNNYXVDXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-9(2,3)6-7-5-8(11-4)10-12-7/h5H,6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole?
5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-3-methoxy-1,2-oxazole is sourced from PubChem (CID 59574815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).