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

C12H10Cl2F3NO — CID 123189900

IUPAC5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C12H10Cl2F3NO/c1-2-10-6-11(19-18-10,12(15,16)17)7-3-8(13)5-9(14)4-7/h3-5H,2,6H2,1H3
InChIKeyHBVYOTQWGVHUSK-UHFFFAOYSA-N
MW312.12 g/mol
LogP4.94
Rot. Bonds2

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

5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 123189900) has the molecular formula C12H10Cl2F3NO and a molecular weight of 312.12 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID123189900
Molecular FormulaC12H10Cl2F3NO
Molecular Weight312.12 g/mol
Exact Mass311.01
IUPAC Name5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESCCC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1
InChIInChI=1S/C12H10Cl2F3NO/c1-2-10-6-11(19-18-10,12(15,16)17)7-3-8(13)5-9(14)4-7/h3-5H,2,6H2,1H3
InChIKeyHBVYOTQWGVHUSK-UHFFFAOYSA-N
XLogP4.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 123189900) is 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole is CCC1=NOC(c2cc(Cl)cc(Cl)c2)(C(F)(F)F)C1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is HBVYOTQWGVHUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F3NO/c1-2-10-6-11(19-18-10,12(15,16)17)7-3-8(13)5-9(14)4-7/h3-5H,2,6H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole?
5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 312.12 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-3-ethyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 123189900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).