5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole

C5H7F2NO — CID 142566225

IUPAC5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(F)F)C1
InChIInChI=1S/C5H7F2NO/c1-3-2-4(5(6)7)9-8-3/h4-5H,2H2,1H3
InChIKeyPWGQLPRIUNOBBG-UHFFFAOYSA-N
MW135.11 g/mol
LogP1.42
Rot. Bonds1

About 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole

5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 142566225) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
PubChem CID142566225
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOC(C(F)F)C1
InChIInChI=1S/C5H7F2NO/c1-3-2-4(5(6)7)9-8-3/h4-5H,2H2,1H3
InChIKeyPWGQLPRIUNOBBG-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole (CID 142566225) is 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is CC1=NOC(C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PWGQLPRIUNOBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-3-2-4(5(6)7)9-8-3/h4-5H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole?
5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 135.11 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 142566225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).