3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole

C14H24F2N2O3 — CID 177243667

IUPAC3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole
SMILESCC.CC.COc1cc(C)on1.Cc1cc(C(F)F)no1
InChIInChI=1S/C5H5F2NO.C5H7NO2.2C2H6/c1-3-2-4(5(6)7)8-9-3;1-4-3-5(7-2)6-8-4;2*1-2/h2,5H,1H3;3H,1-2H3;2*1-2H3
InChIKeyGEDWFUKNYURRNU-UHFFFAOYSA-N
MW306.35 g/mol
LogP4.96
Rot. Bonds2

About 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole

3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole (PubChem CID 177243667) has the molecular formula C14H24F2N2O3 and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole
PubChem CID177243667
Molecular FormulaC14H24F2N2O3
Molecular Weight306.35 g/mol
Exact Mass306.18
IUPAC Name3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole
SMILESCC.CC.COc1cc(C)on1.Cc1cc(C(F)F)no1
InChIInChI=1S/C5H5F2NO.C5H7NO2.2C2H6/c1-3-2-4(5(6)7)8-9-3;1-4-3-5(7-2)6-8-4;2*1-2/h2,5H,1H3;3H,1-2H3;2*1-2H3
InChIKeyGEDWFUKNYURRNU-UHFFFAOYSA-N
XLogP4.96
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole?
The IUPAC name of 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole (CID 177243667) is 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole is CC.CC.COc1cc(C)on1.Cc1cc(C(F)F)no1.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole?
The InChIKey is GEDWFUKNYURRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO.C5H7NO2.2C2H6/c1-3-2-4(5(6)7)8-9-3;1-4-3-5(7-2)6-8-4;2*1-2/h2,5H,1H3;3H,1-2H3;2*1-2H3.
What are the key properties of 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole?
3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole has a molecular weight of 306.35 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-1,2-oxazole;ethane;3-methoxy-5-methyl-1,2-oxazole is sourced from PubChem (CID 177243667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).