3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole

C7H9F2NO2 — CID 68641822

IUPAC3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(COC(C)(F)F)no1
InChIInChI=1S/C7H9F2NO2/c1-5-3-6(10-12-5)4-11-7(2,8)9/h3H,4H2,1-2H3
InChIKeyBJUKWQWZUDKOSK-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.11
Rot. Bonds3

About 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole

3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole (PubChem CID 68641822) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole
PubChem CID68641822
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole
SMILESCc1cc(COC(C)(F)F)no1
InChIInChI=1S/C7H9F2NO2/c1-5-3-6(10-12-5)4-11-7(2,8)9/h3H,4H2,1-2H3
InChIKeyBJUKWQWZUDKOSK-UHFFFAOYSA-N
XLogP2.11
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 52.11
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-Methyl-1,2-oxazol-3-yl)methanol
CID 2736567
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanol
CID 19958730
5-(Chloromethyl)-3-(methoxymethyl)-1,2-oxazole
CID 21698190
[3-(Methoxymethyl)-5-methyl-1,2-oxazol-4-yl]boronic acid
CID 59648165
Isoxazole, 5-(methoxymethyl)-3-methyl-
CID 542401
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole (CID 68641822) is 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole is Cc1cc(COC(C)(F)F)no1.
What is the InChIKey of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole?
The InChIKey is BJUKWQWZUDKOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-5-3-6(10-12-5)4-11-7(2,8)9/h3H,4H2,1-2H3.
What are the key properties of 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole?
3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole has a molecular weight of 177.15 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxymethyl)-5-methyl-1,2-oxazole is sourced from PubChem (CID 68641822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).