(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

C23H16F3NO2 — CID 141298137

IUPAC(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESC=Cc1ccc2c(c1)CCC(C(=O)c1onc(-c3ccccc3)c1C(F)(F)F)=C2
InChIInChI=1S/C23H16F3NO2/c1-2-14-8-9-17-13-18(11-10-16(17)12-14)21(28)22-19(23(24,25)26)20(27-29-22)15-6-4-3-5-7-15/h2-9,12-13H,1,10-11H2
InChIKeyBITDMTYOLNMJCG-UHFFFAOYSA-N
MW395.38 g/mol
LogP6.22
Rot. Bonds4

About (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (PubChem CID 141298137) has the molecular formula C23H16F3NO2 and a molecular weight of 395.38 g/mol. Its IUPAC name is (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
PubChem CID141298137
Molecular FormulaC23H16F3NO2
Molecular Weight395.38 g/mol
Exact Mass395.11
IUPAC Name(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESC=Cc1ccc2c(c1)CCC(C(=O)c1onc(-c3ccccc3)c1C(F)(F)F)=C2
InChIInChI=1S/C23H16F3NO2/c1-2-14-8-9-17-13-18(11-10-16(17)12-14)21(28)22-19(23(24,25)26)20(27-29-22)15-6-4-3-5-7-15/h2-9,12-13H,1,10-11H2
InChIKeyBITDMTYOLNMJCG-UHFFFAOYSA-N
XLogP6.22
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (CID 141298137) is (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is C=Cc1ccc2c(c1)CCC(C(=O)c1onc(-c3ccccc3)c1C(F)(F)F)=C2.
What is the InChIKey of (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is BITDMTYOLNMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3NO2/c1-2-14-8-9-17-13-18(11-10-16(17)12-14)21(28)22-19(23(24,25)26)20(27-29-22)15-6-4-3-5-7-15/h2-9,12-13H,1,10-11H2.
What are the key properties of (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 395.38 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 141298137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).