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

C17H13ClF3NO2 — CID 155344344

IUPAC3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(Cl)=NO2)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO2/c1-10-5-6-11(15-9-16(18)22-24-15)7-14(10)23-13-4-2-3-12(8-13)17(19,20)21/h2-8,15H,9H2,1H3
InChIKeyDEJMPTGUNGUMNX-UHFFFAOYSA-N
MW355.74 g/mol
LogP5.82
Rot. Bonds3

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

3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole (PubChem CID 155344344) has the molecular formula C17H13ClF3NO2 and a molecular weight of 355.74 g/mol. Its IUPAC name is 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
PubChem CID155344344
Molecular FormulaC17H13ClF3NO2
Molecular Weight355.74 g/mol
Exact Mass355.06
IUPAC Name3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(C2CC(Cl)=NO2)cc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H13ClF3NO2/c1-10-5-6-11(15-9-16(18)22-24-15)7-14(10)23-13-4-2-3-12(8-13)17(19,20)21/h2-8,15H,9H2,1H3
InChIKeyDEJMPTGUNGUMNX-UHFFFAOYSA-N
XLogP5.82
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.74
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-3-pyrimidin-5-yloxy-4,5-dihydro-1,2-oxazole
CID 155353353
ethane-1,2-diimine;5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-amine
CID 163393745
(5R)-3-bromo-5-[6-methyl-5-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-4,5-dihydro-1,2-oxazole
CID 155344433
(5S)-3-bromo-5-[2-fluoro-4-methyl-5-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344248
3-bromo-5-[6-methyl-5-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-4,5-dihydro-1,2-oxazole
CID 155353401
3-bromo-5-[4-[3-(2-fluoropropan-2-yl)phenoxy]-5-methyl-2-pyridinyl]-4,5-dihydro-1,2-oxazole
CID 164596073
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine
CID 157036896
N-[5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-2-methylphenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 155344318
(5R)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126225
(5S)-3-[(6-methyl-3-pyridinyl)oxy]-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 58126593
5-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]-2-methoxy-N-[3-(trifluoromethyl)phenyl]aniline
CID 155344427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole (CID 155344344) is 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole is Cc1ccc(C2CC(Cl)=NO2)cc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is DEJMPTGUNGUMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO2/c1-10-5-6-11(15-9-16(18)22-24-15)7-14(10)23-13-4-2-3-12(8-13)17(19,20)21/h2-8,15H,9H2,1H3.
What are the key properties of 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole?
3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 355.74 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 155344344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).