2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole

C12H9ClF3NO — CID 66696645

IUPAC2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9ClF3NO/c1-2-9-10(18-11(13)17-9)7-3-5-8(6-4-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyMLUYRDYFLINTTB-UHFFFAOYSA-N
MW275.66 g/mol
LogP4.58
Rot. Bonds2

About 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole

2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 66696645) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID66696645
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9ClF3NO/c1-2-9-10(18-11(13)17-9)7-3-5-8(6-4-7)12(14,15)16/h3-6H,2H2,1H3
InChIKeyMLUYRDYFLINTTB-UHFFFAOYSA-N
XLogP4.58
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
3-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61336288
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
CID 162550853
4-propyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79412634
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
5-chloro-3-ethyl-4-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81255305
2-ethyl-4-[4-(trifluoromethyl)phenyl]imidazole-1,5-diamine
CID 62483401
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole (CID 66696645) is 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is CCc1nc(Cl)oc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is MLUYRDYFLINTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c1-2-9-10(18-11(13)17-9)7-3-5-8(6-4-7)12(14,15)16/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole?
2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 275.66 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 66696645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).