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

C15H16F3NO — CID 142936042

IUPAC4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)oc1C(C)C
InChIInChI=1S/C15H16F3NO/c1-4-12-13(9(2)3)20-14(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9H,4H2,1-3H3
InChIKeyGLWYJBMMBWAHJY-UHFFFAOYSA-N
MW283.29 g/mol
LogP5.05
Rot. Bonds3

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

4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 142936042) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID142936042
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)oc1C(C)C
InChIInChI=1S/C15H16F3NO/c1-4-12-13(9(2)3)20-14(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9H,4H2,1-3H3
InChIKeyGLWYJBMMBWAHJY-UHFFFAOYSA-N
XLogP5.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.29
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 21334537
2-methyl-6-[3-[[5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]propoxymethyl]benzoic acid
CID 11990407
4-(methoxymethyl)-5-(2,2,2-trifluoroethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 170147212
4-(cyclohexyloxymethyl)-5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 141095379
[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methanol
CID 21300962
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
N-methyl-1-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115079251
5-methyl-4-[(3-methyl-1,2,4-triazol-1-yl)methyl]-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56750905
5-(1,1-difluoroprop-2-enyl)-4-(iodomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 163520323
N-methyl-N-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 45215445
(2R)-3-[methyl-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]amino]propane-1,2-diol
CID 95202912

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole (CID 142936042) is 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is CCc1nc(-c2cccc(C(F)(F)F)c2)oc1C(C)C.
What is the InChIKey of 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is GLWYJBMMBWAHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-4-12-13(9(2)3)20-14(19-12)10-6-5-7-11(8-10)15(16,17)18/h5-9H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole?
4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 283.29 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 142936042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).