3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole

C16H21NO2 — CID 70807935

IUPAC3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2ccccc2OCCC(C)(C)C)no1
InChIInChI=1S/C16H21NO2/c1-12-11-14(17-19-12)13-7-5-6-8-15(13)18-10-9-16(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyAUMVQUWGCVZPPV-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.47
Rot. Bonds4

About 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole

3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole (PubChem CID 70807935) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole
PubChem CID70807935
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole
SMILESCc1cc(-c2ccccc2OCCC(C)(C)C)no1
InChIInChI=1S/C16H21NO2/c1-12-11-14(17-19-12)13-7-5-6-8-15(13)18-10-9-16(2,3)4/h5-8,11H,9-10H2,1-4H3
InChIKeyAUMVQUWGCVZPPV-UHFFFAOYSA-N
XLogP4.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole (CID 70807935) is 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole is Cc1cc(-c2ccccc2OCCC(C)(C)C)no1.
What is the InChIKey of 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole?
The InChIKey is AUMVQUWGCVZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12-11-14(17-19-12)13-7-5-6-8-15(13)18-10-9-16(2,3)4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole?
3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole has a molecular weight of 259.35 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylbutoxy)phenyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 70807935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).