3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole

C10H15F2NO2 — CID 58044475

IUPAC3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COC(F)(F)C(C)(C)C)no1
InChIInChI=1S/C10H15F2NO2/c1-7-5-8(13-15-7)6-14-10(11,12)9(2,3)4/h5H,6H2,1-4H3
InChIKeyPKZCNNRVORUXCH-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.14
Rot. Bonds3

About 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole

3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole (PubChem CID 58044475) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole
PubChem CID58044475
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COC(F)(F)C(C)(C)C)no1
InChIInChI=1S/C10H15F2NO2/c1-7-5-8(13-15-7)6-14-10(11,12)9(2,3)4/h5H,6H2,1-4H3
InChIKeyPKZCNNRVORUXCH-UHFFFAOYSA-N
XLogP3.14
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 5-methylisoxazole-3-carboxylate
CID 88245
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
5-(Chloromethyl)-3-(methoxymethyl)-1,2-oxazole
CID 21698190
Butyl 5-methylisoxazole-3-carboxylate
CID 3020472
3-(Methoxymethyl)-1,2-oxazole-5-carbaldehyde
CID 105428185
1-[3-(Methoxymethyl)-1,2-oxazol-5-yl]methanamine hydrochloride
CID 137951364
3-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-5-methylisoxazole
CID 10013981
Ethyl 5-(fluoromethyl)isoxazole-3-carboxylate
CID 10397254
{[3-(Methoxymethyl)isoxazol-5-yl]methyl}amine
CID 55285777
Ethyl 5-(1,1-difluoroethyl)isoxazole-3-carboxylate
CID 57736352
Ethyl 5-(trifluoromethyl)isoxazole-3-carboxylate
CID 66678485

Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole (CID 58044475) is 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole is Cc1cc(COC(F)(F)C(C)(C)C)no1.
What is the InChIKey of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole?
The InChIKey is PKZCNNRVORUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-7-5-8(13-15-7)6-14-10(11,12)9(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole?
3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole has a molecular weight of 219.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 58044475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).