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

C5H5F2NO — CID 123421285

IUPAC2-(difluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C(F)F)o1
InChIInChI=1S/C5H5F2NO/c1-3-2-8-5(9-3)4(6)7/h2,4H,1H3
InChIKeyPMKZKTBOJMKCJQ-UHFFFAOYSA-N
MW133.10 g/mol
LogP1.92
Rot. Bonds1

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

2-(difluoromethyl)-5-methyl-1,3-oxazole (PubChem CID 123421285) has the molecular formula C5H5F2NO and a molecular weight of 133.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-1,3-oxazole
PubChem CID123421285
Molecular FormulaC5H5F2NO
Molecular Weight133.10 g/mol
Exact Mass133.03
IUPAC Name2-(difluoromethyl)-5-methyl-1,3-oxazole
SMILESCc1cnc(C(F)F)o1
InChIInChI=1S/C5H5F2NO/c1-3-2-8-5(9-3)4(6)7/h2,4H,1H3
InChIKeyPMKZKTBOJMKCJQ-UHFFFAOYSA-N
XLogP1.92
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-1,3-oxazole?
The IUPAC name of 2-(difluoromethyl)-5-methyl-1,3-oxazole (CID 123421285) is 2-(difluoromethyl)-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-1,3-oxazole?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-1,3-oxazole is Cc1cnc(C(F)F)o1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-1,3-oxazole?
The InChIKey is PMKZKTBOJMKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NO/c1-3-2-8-5(9-3)4(6)7/h2,4H,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-1,3-oxazole?
2-(difluoromethyl)-5-methyl-1,3-oxazole has a molecular weight of 133.10 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-1,3-oxazole is sourced from PubChem (CID 123421285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).