4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole

C12H10F3NO2 — CID 123620380

IUPAC4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
SMILESCc1coc(Cc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3NO2/c1-8-7-17-11(16-8)6-9-3-2-4-10(5-9)18-12(13,14)15/h2-5,7H,6H2,1H3
InChIKeySSXZOLQPPFBNRC-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.47
Rot. Bonds3

About 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole

4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole (PubChem CID 123620380) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
PubChem CID123620380
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
SMILESCc1coc(Cc2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C12H10F3NO2/c1-8-7-17-11(16-8)6-9-3-2-4-10(5-9)18-12(13,14)15/h2-5,7H,6H2,1H3
InChIKeySSXZOLQPPFBNRC-UHFFFAOYSA-N
XLogP3.47
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
2,5-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrol-1-amine
CID 107104507
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
6-chloro-2-methyl-3-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 58957271
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
1-[2-[(3-methoxyphenyl)methyl]-1,3-oxazol-4-yl]-N-methylethanamine
CID 115083796
4-methoxy-N,6-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidin-2-amine
CID 167840227
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906
methanidyl-[[3-(trifluoromethoxy)phenyl]methyl]azanium
CID 20723524
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole (CID 123620380) is 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole is Cc1coc(Cc2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole?
The InChIKey is SSXZOLQPPFBNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c1-8-7-17-11(16-8)6-9-3-2-4-10(5-9)18-12(13,14)15/h2-5,7H,6H2,1H3.
What are the key properties of 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole?
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole has a molecular weight of 257.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole is sourced from PubChem (CID 123620380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).