7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole

C25H19F3N2O2 — CID 67171970

IUPAC7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)C(C)(C)Cc1c-2noc1-c1onc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C25H19F3N2O2/c1-4-14-10-11-16-18(12-14)24(2,3)13-17-21(16)30-31-22(17)23-19(25(26,27)28)20(29-32-23)15-8-6-5-7-9-15/h4-12H,1,13H2,2-3H3
InChIKeyIPJXCRDGVIBATL-UHFFFAOYSA-N
MW436.43 g/mol
LogP7.16
Rot. Bonds3

About 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole

7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole (PubChem CID 67171970) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole
PubChem CID67171970
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)C(C)(C)Cc1c-2noc1-c1onc(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C25H19F3N2O2/c1-4-14-10-11-16-18(12-14)24(2,3)13-17-21(16)30-31-22(17)23-19(25(26,27)28)20(29-32-23)15-8-6-5-7-9-15/h4-12H,1,13H2,2-3H3
InChIKeyIPJXCRDGVIBATL-UHFFFAOYSA-N
XLogP7.16
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-[1,2]oxazolo[4,3-c]quinoline-7-carbaldehyde
CID 86669918
7-bromo-5-methyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-[1,2]oxazolo[4,3-c]quinoline
CID 67168450
3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole-7-carbaldehyde
CID 86669875
7-ethenyl-3-[5-(2-methylpropyl)-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
CID 67170761
(6-ethenyl-3,4-dihydronaphthalen-2-yl)-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
CID 141298137
tert-butyl 7-bromo-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-[1,2]oxazolo[4,3-c]quinoline-5-carboxylate
CID 67167280
3-[5-cyclohexyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-7-ethenyl-4,5-dihydrobenzo[g][2,1]benzoxazole
CID 67171805
3-[[3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methylamino]cyclobutane-1-carboxylic acid
CID 67168600
6-chloro-4-ethenyl-2-phenyl-3-(trifluoromethyl)pyridine
CID 121400157
5-(4,5-dihydro-2H-benzo[g]indazol-3-yl)-3-phenyl-4-(trifluoromethyl)-1,2-oxazole
CID 141298164
(2S)-3-[ethyl-[3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]amino]propane-1,2-diol
CID 67171484
7-(oxiran-2-yl)-3-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-4,5-dihydrobenzo[g][2,1]benzoxazole
CID 86669878

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole?
The IUPAC name of 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole (CID 67171970) is 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole.
What is the SMILES notation for 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole?
The canonical SMILES for 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole is C=Cc1ccc2c(c1)C(C)(C)Cc1c-2noc1-c1onc(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole?
The InChIKey is IPJXCRDGVIBATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-4-14-10-11-16-18(12-14)24(2,3)13-17-21(16)30-31-22(17)23-19(25(26,27)28)20(29-32-23)15-8-6-5-7-9-15/h4-12H,1,13H2,2-3H3.
What are the key properties of 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole?
7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole has a molecular weight of 436.43 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-5,5-dimethyl-3-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-4H-benzo[g][2,1]benzoxazole is sourced from PubChem (CID 67171970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).