2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole

C7H8F3NO — CID 163982387

IUPAC2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(C(F)(F)F)c(C)o1
InChIInChI=1S/C7H8F3NO/c1-3-5-11-6(4(2)12-5)7(8,9)10/h3H2,1-2H3
InChIKeySZODJJWVJZSERZ-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.56
Rot. Bonds1

About 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole

2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 163982387) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID163982387
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCCc1nc(C(F)(F)F)c(C)o1
InChIInChI=1S/C7H8F3NO/c1-3-5-11-6(4(2)12-5)7(8,9)10/h3H2,1-2H3
InChIKeySZODJJWVJZSERZ-UHFFFAOYSA-N
XLogP2.56
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-Trimethyloxazole
CID 30215
2-Ethyl-4,5-dimethyloxazole
CID 62069
4,5-Dimethyl-2-propyloxazole
CID 104620
2-Isobutyl-4,5-dimethyloxazole
CID 574068
2-Isopropyl-4,5-dimethyloxazole
CID 29644
2-Butyl-4,5-dimethyloxazole
CID 522807
5-Ethyl-2,4-dimethyloxazole
CID 525776
4,5-Dimethyl-1,3-oxazole-2-carbaldehyde
CID 14920525
2-(Chloromethyl)-4,5-dimethyl-1,3-oxazole
CID 15176125
3-(4,5-Dimethyl-1,3-oxazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 486289
4-(Chloromethyl)-2,5-dimethyl-1,3-oxazole
CID 7537479
5-(Chloromethyl)-2,4-dimethyl-1,3-oxazole
CID 11564492

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole (CID 163982387) is 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole is CCc1nc(C(F)(F)F)c(C)o1.
What is the InChIKey of 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SZODJJWVJZSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-3-5-11-6(4(2)12-5)7(8,9)10/h3H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole?
2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 163982387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).