3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole

C7H9F2NO2 — CID 170179528

IUPAC3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(OC(F)F)no1
InChIInChI=1S/C7H9F2NO2/c1-4(2)5-3-6(10-12-5)11-7(8)9/h3-4,7H,1-2H3
InChIKeyXCXUEHNRFFHVQR-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.40
Rot. Bonds3

About 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole

3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole (PubChem CID 170179528) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole
PubChem CID170179528
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(OC(F)F)no1
InChIInChI=1S/C7H9F2NO2/c1-4(2)5-3-6(10-12-5)11-7(8)9/h3-4,7H,1-2H3
InChIKeyXCXUEHNRFFHVQR-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methoxy-1,2-oxazol-5-yl)acetonitrile
CID 84762527
(5-propan-2-yl-1,2-oxazol-3-yl) N,N-dimethylcarbamate
CID 118728305
2-(3-Methoxy-1,2-oxazol-5-yl)ethan-1-ol
CID 86116587
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-Methyl-3-(trifluoromethoxy)-1,2-oxazole
CID 118466345
[5-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl] cyanate
CID 132034797
5-Propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole
CID 144946113
[5-(1,1,1-Trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl] carbamate
CID 153974897
1-[3-(Difluoromethoxy)-1,2-oxazol-5-yl]ethanone
CID 156895455
3-(3,3-Difluorocyclobutyl)oxy-5-prop-1-en-2-yl-1,2-oxazole
CID 168168834
3-(3,3-Difluorocyclobutyl)oxy-5-propan-2-yl-1,2-oxazole
CID 168168879

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole (CID 170179528) is 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole is CC(C)c1cc(OC(F)F)no1.
What is the InChIKey of 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole?
The InChIKey is XCXUEHNRFFHVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c1-4(2)5-3-6(10-12-5)11-7(8)9/h3-4,7H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole?
3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole has a molecular weight of 177.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 170179528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).