4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole

C26H32F3NO2 — CID 123195027

IUPAC4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole
SMILESCC1=NC(C)(c2ccc3c(C(F)(F)F)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)CO1
InChIInChI=1S/C26H32F3NO2/c1-16-30-25(5,15-31-16)19-9-12-21-17(14-19)6-13-22(23(21)26(27,28)29)32-20-10-7-18(8-11-20)24(2,3)4/h6,9,12-14,18,20H,7-8,10-11,15H2,1-5H3
InChIKeyBWNMUSYUTANPKR-UHFFFAOYSA-N
MW447.54 g/mol
LogP7.51
Rot. Bonds3

About 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole

4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole (PubChem CID 123195027) has the molecular formula C26H32F3NO2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole
PubChem CID123195027
Molecular FormulaC26H32F3NO2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole
SMILESCC1=NC(C)(c2ccc3c(C(F)(F)F)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)CO1
InChIInChI=1S/C26H32F3NO2/c1-16-30-25(5,15-31-16)19-9-12-21-17(14-19)6-13-22(23(21)26(27,28)29)32-20-10-7-18(8-11-20)24(2,3)4/h6,9,12-14,18,20H,7-8,10-11,15H2,1-5H3
InChIKeyBWNMUSYUTANPKR-UHFFFAOYSA-N
XLogP7.51
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole (CID 123195027) is 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole is CC1=NC(C)(c2ccc3c(C(F)(F)F)c(OC4CCC(C(C)(C)C)CC4)ccc3c2)CO1.
What is the InChIKey of 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BWNMUSYUTANPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3NO2/c1-16-30-25(5,15-31-16)19-9-12-21-17(14-19)6-13-22(23(21)26(27,28)29)32-20-10-7-18(8-11-20)24(2,3)4/h6,9,12-14,18,20H,7-8,10-11,15H2,1-5H3.
What are the key properties of 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole?
4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole has a molecular weight of 447.54 g/mol, XLogP of 7.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-tert-butylcyclohexyl)oxy-5-(trifluoromethyl)naphthalen-2-yl]-2,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 123195027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).