4-ethyl-3-(fluoromethyl)-1,2-oxazole

C6H8FNO — CID 170598698

IUPAC4-ethyl-3-(fluoromethyl)-1,2-oxazole
SMILESCCc1conc1CF
InChIInChI=1S/C6H8FNO/c1-2-5-4-9-8-6(5)3-7/h4H,2-3H2,1H3
InChIKeyRIFMDVFBKGTFIO-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.71
Rot. Bonds2

About 4-ethyl-3-(fluoromethyl)-1,2-oxazole

4-ethyl-3-(fluoromethyl)-1,2-oxazole (PubChem CID 170598698) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 4-ethyl-3-(fluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name4-ethyl-3-(fluoromethyl)-1,2-oxazole
PubChem CID170598698
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name4-ethyl-3-(fluoromethyl)-1,2-oxazole
SMILESCCc1conc1CF
InChIInChI=1S/C6H8FNO/c1-2-5-4-9-8-6(5)3-7/h4H,2-3H2,1H3
InChIKeyRIFMDVFBKGTFIO-UHFFFAOYSA-N
XLogP1.71
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
Dimethylisoxazole
CID 328257
1-(3-Methyl-1,2-oxazol-4-yl)ethan-1-one
CID 10351698
4-Ethyl-1,2-oxazole-3-carbaldehyde
CID 54534543
4-Tert-butyl-3-(chloromethyl)-1,2-oxazole
CID 146050087
1-(3-Methyl-1,2-oxazol-4-yl)ethan-1-ol
CID 122163695
2-[3-(Trifluoromethyl)-1,2-oxazol-4-yl]acetonitrile
CID 84767040
3-(Chloromethyl)-4-ethyl-1,2-oxazole
CID 146050155
(4-Ethyl-1,2-oxazol-3-yl)methanesulfonyl chloride
CID 154809674
3-Ethyl-4-methyl-1,2-oxazole
CID 59050126
4-Methyl-3-(trifluoromethyl)isoxazole
CID 45099016
4-(2,2-Difluorocyclopropyl)-3-methyl-1,2-oxazole
CID 57093117

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(fluoromethyl)-1,2-oxazole?
The IUPAC name of 4-ethyl-3-(fluoromethyl)-1,2-oxazole (CID 170598698) is 4-ethyl-3-(fluoromethyl)-1,2-oxazole.
What is the SMILES notation for 4-ethyl-3-(fluoromethyl)-1,2-oxazole?
The canonical SMILES for 4-ethyl-3-(fluoromethyl)-1,2-oxazole is CCc1conc1CF.
What is the InChIKey of 4-ethyl-3-(fluoromethyl)-1,2-oxazole?
The InChIKey is RIFMDVFBKGTFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-2-5-4-9-8-6(5)3-7/h4H,2-3H2,1H3.
What are the key properties of 4-ethyl-3-(fluoromethyl)-1,2-oxazole?
4-ethyl-3-(fluoromethyl)-1,2-oxazole has a molecular weight of 129.13 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(fluoromethyl)-1,2-oxazole is sourced from PubChem (CID 170598698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).