7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C22H14F3N3O — CID 45484856

IUPAC7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(-c4ccc5[nH]ccc5c4)cccc23)cc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)15-5-7-16(8-6-15)27-21-18-3-1-2-17(20(18)29-28-21)13-4-9-19-14(12-13)10-11-26-19/h1-12,26H,(H,27,28)
InChIKeyLQDVKGMXBYIUOZ-UHFFFAOYSA-N
MW393.37 g/mol
LogP6.74
Rot. Bonds3

About 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484856) has the molecular formula C22H14F3N3O and a molecular weight of 393.37 g/mol. Its IUPAC name is 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484856
Molecular FormulaC22H14F3N3O
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(-c4ccc5[nH]ccc5c4)cccc23)cc1
InChIInChI=1S/C22H14F3N3O/c23-22(24,25)15-5-7-16(8-6-15)27-21-18-3-1-2-17(20(18)29-28-21)13-4-9-19-14(12-13)10-11-26-19/h1-12,26H,(H,27,28)
InChIKeyLQDVKGMXBYIUOZ-UHFFFAOYSA-N
XLogP6.74
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484856) is 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3c(-c4ccc5[nH]ccc5c4)cccc23)cc1.
What is the InChIKey of 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is LQDVKGMXBYIUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O/c23-22(24,25)15-5-7-16(8-6-15)27-21-18-3-1-2-17(20(18)29-28-21)13-4-9-19-14(12-13)10-11-26-19/h1-12,26H,(H,27,28).
What are the key properties of 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 393.37 g/mol, XLogP of 6.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).