3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

C11H9ClF3NO — CID 132942091

IUPAC3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1CC(c2cccc(Cl)c2)=NO1
InChIInChI=1S/C11H9ClF3NO/c12-8-3-1-2-7(4-8)10-5-9(17-16-10)6-11(13,14)15/h1-4,9H,5-6H2
InChIKeyXJPIGWMSJWVQJV-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.79
Rot. Bonds2

About 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole

3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 132942091) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
PubChem CID132942091
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
SMILESFC(F)(F)CC1CC(c2cccc(Cl)c2)=NO1
InChIInChI=1S/C11H9ClF3NO/c12-8-3-1-2-7(4-8)10-5-9(17-16-10)6-11(13,14)15/h1-4,9H,5-6H2
InChIKeyXJPIGWMSJWVQJV-UHFFFAOYSA-N
XLogP3.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
[3-[3-(difluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 115529333
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
2-[3-(3-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethanamine
CID 105456448
(2S)-1-[(3-chlorophenyl)methyl-[[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 93177204
(2S)-1-[(3-chlorophenyl)methyl-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-phenylpropan-2-ol
CID 98629494
2-[(3-chlorophenyl)methyl-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]amino]-1-phenylethanol
CID 46014190
[3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
CID 11390420
N-[(3-chlorophenyl)methyl]-N-[[(5S)-3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-fluorobenzamide
CID 93307595
N-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 93307744
(5R)-3-tert-butyl-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole
CID 125489383
N-[(3-chlorophenyl)methyl]-3-fluoro-N-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 42815978

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole (CID 132942091) is 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is FC(F)(F)CC1CC(c2cccc(Cl)c2)=NO1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XJPIGWMSJWVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-8-3-1-2-7(4-8)10-5-9(17-16-10)6-11(13,14)15/h1-4,9H,5-6H2.
What are the key properties of 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole?
3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 263.65 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 132942091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).