2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

C17H14F3NO — CID 102031804

IUPAC2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2)c1C1=NCCO1
InChIInChI=1S/C17H14F3NO/c1-11-3-2-4-14(15(11)16-21-9-10-22-16)12-5-7-13(8-6-12)17(18,19)20/h2-8H,9-10H2,1H3
InChIKeyBUWYPKHHIHESGO-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.46
Rot. Bonds2

About 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole

2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 102031804) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID102031804
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCc1cccc(-c2ccc(C(F)(F)F)cc2)c1C1=NCCO1
InChIInChI=1S/C17H14F3NO/c1-11-3-2-4-14(15(11)16-21-9-10-22-16)12-5-7-13(8-6-12)17(18,19)20/h2-8H,9-10H2,1H3
InChIKeyBUWYPKHHIHESGO-UHFFFAOYSA-N
XLogP4.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
2-biphenylen-1-yl-4,5-dihydro-1,3-oxazole
CID 174622186
2-(2-methyl-6-phenylphenyl)-4-(trifluoromethyl)pyridine
CID 138974124
2-[(3S)-4'-methyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-4,5-dihydro-1,3-oxazole
CID 58273023
N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
CID 102337966
7-(2,6-dimethylphenyl)-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 173159803
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
7-[4-(trifluoromethyl)phenyl]-2,3-dihydroisoindol-1-one
CID 15315314
2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran
CID 151016098
7-methyl-3-[4-(trifluoromethyl)phenyl]-2,1-benzoxazole
CID 14835385
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
2-(4,5-dihydro-1,3-oxazol-2-yl)benzamide
CID 174769294

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 102031804) is 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1C1=NCCO1.
What is the InChIKey of 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BUWYPKHHIHESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c1-11-3-2-4-14(15(11)16-21-9-10-22-16)12-5-7-13(8-6-12)17(18,19)20/h2-8H,9-10H2,1H3.
What are the key properties of 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 305.30 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102031804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).