5-(difluoromethyl)-4-ethynyl-1,3-oxazole

C6H3F2NO — CID 146050177

IUPAC5-(difluoromethyl)-4-ethynyl-1,3-oxazole
SMILESC#Cc1ncoc1C(F)F
InChIInChI=1S/C6H3F2NO/c1-2-4-5(6(7)8)10-3-9-4/h1,3,6H
InChIKeyZDFIMSKXXHJICJ-UHFFFAOYSA-N
MW143.09 g/mol
LogP1.59
Rot. Bonds1

About 5-(difluoromethyl)-4-ethynyl-1,3-oxazole

5-(difluoromethyl)-4-ethynyl-1,3-oxazole (PubChem CID 146050177) has the molecular formula C6H3F2NO and a molecular weight of 143.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-ethynyl-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-ethynyl-1,3-oxazole
PubChem CID146050177
Molecular FormulaC6H3F2NO
Molecular Weight143.09 g/mol
Exact Mass143.02
IUPAC Name5-(difluoromethyl)-4-ethynyl-1,3-oxazole
SMILESC#Cc1ncoc1C(F)F
InChIInChI=1S/C6H3F2NO/c1-2-4-5(6(7)8)10-3-9-4/h1,3,6H
InChIKeyZDFIMSKXXHJICJ-UHFFFAOYSA-N
XLogP1.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.09
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-Dimethyloxazole
CID 30214
4-(Chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 126971910
4-(Chloromethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137699011
Methyl 3-(4-methyl-1,3-oxazol-5-yl)prop-2-ynoate
CID 165461759
4-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 54234857
4-(Bromomethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 130118600
5-(Difluoromethyl)-4-methyl-1,3-oxazole
CID 138661277
4-(Difluoromethyl)-5-methyl-1,3-oxazole
CID 138661281
5-Methyl-4-(trifluoromethyl)-1,3-oxazole
CID 162609715
4-(Fluoromethyl)-5-methyl-1,3-oxazole
CID 169167297
Ethane;4-methyl-5-(trifluoromethyl)-1,3-oxazole
CID 172267539
5-(Chloromethyl)-4-(trifluoromethyl)oxazole
CID 118993630

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-ethynyl-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-ethynyl-1,3-oxazole (CID 146050177) is 5-(difluoromethyl)-4-ethynyl-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-ethynyl-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-ethynyl-1,3-oxazole is C#Cc1ncoc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-ethynyl-1,3-oxazole?
The InChIKey is ZDFIMSKXXHJICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F2NO/c1-2-4-5(6(7)8)10-3-9-4/h1,3,6H.
What are the key properties of 5-(difluoromethyl)-4-ethynyl-1,3-oxazole?
5-(difluoromethyl)-4-ethynyl-1,3-oxazole has a molecular weight of 143.09 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-ethynyl-1,3-oxazole is sourced from PubChem (CID 146050177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).