N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide

C24H27F3N2O3 — CID 91386188

IUPACN-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide
SMILESCCCc1cc2c(C(F)(F)F)noc2c(CCC)c1ONC(=O)Cc1ccc(CC)cc1
InChIInChI=1S/C24H27F3N2O3/c1-4-7-17-14-19-22(32-29-23(19)24(25,26)27)18(8-5-2)21(17)31-28-20(30)13-16-11-9-15(6-3)10-12-16/h9-12,14H,4-8,13H2,1-3H3,(H,28,30)
InChIKeyKJQMOAFUHBEMQL-UHFFFAOYSA-N
MW448.49 g/mol
LogP5.97
Rot. Bonds9

About N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide

N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide (PubChem CID 91386188) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide
PubChem CID91386188
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC NameN-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide
SMILESCCCc1cc2c(C(F)(F)F)noc2c(CCC)c1ONC(=O)Cc1ccc(CC)cc1
InChIInChI=1S/C24H27F3N2O3/c1-4-7-17-14-19-22(32-29-23(19)24(25,26)27)18(8-5-2)21(17)31-28-20(30)13-16-11-9-15(6-3)10-12-16/h9-12,14H,4-8,13H2,1-3H3,(H,28,30)
InChIKeyKJQMOAFUHBEMQL-UHFFFAOYSA-N
XLogP5.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide?
The IUPAC name of N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide (CID 91386188) is N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide.
What is the SMILES notation for N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide?
The canonical SMILES for N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide is CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1ONC(=O)Cc1ccc(CC)cc1.
What is the InChIKey of N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide?
The InChIKey is KJQMOAFUHBEMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-4-7-17-14-19-22(32-29-23(19)24(25,26)27)18(8-5-2)21(17)31-28-20(30)13-16-11-9-15(6-3)10-12-16/h9-12,14H,4-8,13H2,1-3H3,(H,28,30).
What are the key properties of N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide?
N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide has a molecular weight of 448.49 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(4-ethylphenyl)acetamide is sourced from PubChem (CID 91386188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).