7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole

C23H20F3NO2 — CID 67171233

IUPAC7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO2/c1-4-14-5-8-17-15(11-14)6-9-18-21(17)27-29-22(18)16-7-10-20(28-13(2)3)19(12-16)23(24,25)26/h4-5,7-8,10-13H,1,6,9H2,2-3H3
InChIKeyRUEGVMCHEQEUNP-UHFFFAOYSA-N
MW399.41 g/mol
LogP6.56
Rot. Bonds4

About 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole

7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole (PubChem CID 67171233) has the molecular formula C23H20F3NO2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole.

Molecular Properties

Compound Name7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole
PubChem CID67171233
Molecular FormulaC23H20F3NO2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole
SMILESC=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C23H20F3NO2/c1-4-14-5-8-17-15(11-14)6-9-18-21(17)27-29-22(18)16-7-10-20(28-13(2)3)19(12-16)23(24,25)26/h4-5,7-8,10-13H,1,6,9H2,2-3H3
InChIKeyRUEGVMCHEQEUNP-UHFFFAOYSA-N
XLogP6.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.41
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-[3-(2-Ethoxy-3,5-diisopropyl-phenyl)-benzo[d]isoxazol-5-yl]-but-2-enoic acid
CID 10158313
1-((3-(4-Isopropoxy-3-(trifluoromethyl)phenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acid
CID 53234380
1-[[3-(3-Cyano-4-propan-2-yloxyphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methyl]azetidine-3-carboxylic acid
CID 53234381
1-((3-(4-Isopropoxy-2-(trifluoromethyl)phenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yl)methyl)azetidine-3-carboxylic acid
CID 67169586
2-(4-(4-(7-Propyl-3-(trifluoromethyl)benzo[d]isoxazol-6-yloxy)butyl)phenyl)acetic acid
CID 44411810
3-(2-Methoxyphenyl)benzo[f][1,2]benzoxazole-4,9-dione
CID 60167450
3-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 90677091
7-Methoxy-3-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole
CID 340667
4-(4-Ethoxyphenyl)-5-(4-methoxynaphthalen-1-yl)-1,2-oxazole
CID 149829376
(R)-3-(3-(4-Propylphenyl)-4,5-dihydronaphtho[1,2-c]isoxazol-7-yloxy)propane-1,2-diol
CID 53234306
3-[[3-(3-Cyano-4-propan-2-yloxyphenyl)-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl]methylamino]propanoic acid
CID 53234382
2-[3-[4-[[5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]phenyl]phenyl]acetic acid
CID 170551888

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The IUPAC name of 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole (CID 67171233) is 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole.
What is the SMILES notation for 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The canonical SMILES for 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole is C=Cc1ccc2c(c1)CCc1c-2noc1-c1ccc(OC(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
The InChIKey is RUEGVMCHEQEUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3NO2/c1-4-14-5-8-17-15(11-14)6-9-18-21(17)27-29-22(18)16-7-10-20(28-13(2)3)19(12-16)23(24,25)26/h4-5,7-8,10-13H,1,6,9H2,2-3H3.
What are the key properties of 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole?
7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole has a molecular weight of 399.41 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-4,5-dihydrobenzo[g][2,1]benzoxazole is sourced from PubChem (CID 67171233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).