2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole

C6H4F5NO — CID 118298960

IUPAC2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)C(F)(F)F)co1
InChIInChI=1S/C6H4F5NO/c1-3-12-4(2-13-3)5(7,8)6(9,10)11/h2H,1H3
InChIKeyDUBGJWVKUVZEFE-UHFFFAOYSA-N
MW201.09 g/mol
LogP2.64
Rot. Bonds1

About 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole

2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole (PubChem CID 118298960) has the molecular formula C6H4F5NO and a molecular weight of 201.09 g/mol. Its IUPAC name is 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
PubChem CID118298960
Molecular FormulaC6H4F5NO
Molecular Weight201.09 g/mol
Exact Mass201.02
IUPAC Name2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole
SMILESCc1nc(C(F)(F)C(F)(F)F)co1
InChIInChI=1S/C6H4F5NO/c1-3-12-4(2-13-3)5(7,8)6(9,10)11/h2H,1H3
InChIKeyDUBGJWVKUVZEFE-UHFFFAOYSA-N
XLogP2.64
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-propyl-1,3-oxazole
CID 528409
2-Methyl-4-propyloxazole
CID 528406
4-Ethyl-2-methyloxazole
CID 525785
2-Ethyl-4-methyloxazole
CID 528405
4-Methyl-2-trifluoroacetyloxazole
CID 18936312
1-(2-Methyloxazol-4-yl)ethanone
CID 15565394
2-Methyl-4-oxazoleacetonitrile
CID 44119605
4-Ethyl-1,3-oxazole-2-carbaldehyde
CID 58884863
4-Ethyl-2-iodo-1,3-oxazole
CID 71084968
2-Bromo-4-ethyl-1,3-oxazole
CID 112756757
Bis(trifluoromethyl)oxazole
CID 129816300
2-Methyl-4-t-butyloxazole
CID 12537914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole (CID 118298960) is 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole is Cc1nc(C(F)(F)C(F)(F)F)co1.
What is the InChIKey of 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
The InChIKey is DUBGJWVKUVZEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5NO/c1-3-12-4(2-13-3)5(7,8)6(9,10)11/h2H,1H3.
What are the key properties of 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole?
2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole has a molecular weight of 201.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazole is sourced from PubChem (CID 118298960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).