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

C15H20F3NO — CID 142401527

IUPACethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC.CC(C)C1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H14F3NO.C2H6/c1-8(2)12-17-11(7-18-12)9-3-5-10(6-4-9)13(14,15)16;1-2/h3-6,8,11H,7H2,1-2H3;1-2H3
InChIKeyTUSCLRWWACNTHU-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.86
Rot. Bonds2

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

ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 142401527) has the molecular formula C15H20F3NO and a molecular weight of 287.33 g/mol. Its IUPAC name is ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID142401527
Molecular FormulaC15H20F3NO
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC Nameethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC.CC(C)C1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H14F3NO.C2H6/c1-8(2)12-17-11(7-18-12)9-3-5-10(6-4-9)13(14,15)16;1-2/h3-6,8,11H,7H2,1-2H3;1-2H3
InChIKeyTUSCLRWWACNTHU-UHFFFAOYSA-N
XLogP4.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008028
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
CID 15008032
4-(4-Decyl-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008037
2-(2,6-Difluorophenyl)-4-(2-fluoro-4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 76308798
2-(2,6-Difluorophenyl)-4,5-dihydro-4-[4-(1-methylethyl)phenyl]oxazole
CID 76312514
4-(4-Butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76316022
2-(2,6-Difluorophenyl)-4-[4-(2-methylpropyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 76326942
(1S)-2-methoxy-1-(4-(trifluoromethyl)phenyl)ethan-1-amine hydrochloride
CID 155903186

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 142401527) is ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is CC.CC(C)C1=NC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is TUSCLRWWACNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO.C2H6/c1-8(2)12-17-11(7-18-12)9-3-5-10(6-4-9)13(14,15)16;1-2/h3-6,8,11H,7H2,1-2H3;1-2H3.
What are the key properties of ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole?
ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 287.33 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 142401527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).