6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C19H12F3N3O — CID 45484932

IUPAC6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cc(-c4cccnc4)ccc23)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)14-4-6-15(7-5-14)24-18-16-8-3-12(10-17(16)26-25-18)13-2-1-9-23-11-13/h1-11H,(H,24,25)
InChIKeyFNBDRRWLIIBBNJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.65
Rot. Bonds3

About 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 45484932) has the molecular formula C19H12F3N3O and a molecular weight of 355.32 g/mol. Its IUPAC name is 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID45484932
Molecular FormulaC19H12F3N3O
Molecular Weight355.32 g/mol
Exact Mass355.09
IUPAC Name6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cc(-c4cccnc4)ccc23)cc1
InChIInChI=1S/C19H12F3N3O/c20-19(21,22)14-4-6-15(7-5-14)24-18-16-8-3-12(10-17(16)26-25-18)13-2-1-9-23-11-13/h1-11H,(H,24,25)
InChIKeyFNBDRRWLIIBBNJ-UHFFFAOYSA-N
XLogP5.65
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-(3-(piperidin-4-yl)benzo[d]isoxazol-6-yl)phenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580077
N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
CID 11155871
N-[1-[4-(3-amino-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11525664
2-(1,2-benzisoxazol-3-yl)-N-(2-pyridinyl)acetamide
CID 1235386
N-(3-(3-aminobenzo[d]isoxazol-6-yl)-4-methylphenyl)-2-(pyrrolidin-1-yl)isonicotinamide
CID 44580777
(R)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine
CID 44597109
(S)-4-(3-(4-fluorophenyl)-5-isopropylisoxazol-4-yl)-N-(1-phenylethyl)pyridin-2-amine
CID 44597110
7-(1H-indol-5-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484856
6-(isoquinolin-5-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484868
6-(1H-indol-5-yl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484877
7-(trifluoromethyl)-N-(6-(trifluoromethyl)pyridin-3-yl)benzo[d]isoxazol-3-amine
CID 45484895
6-(3-(trifluoromethyl)phenyl)-N-(4-(trifluoromethyl)phenyl)benzo[d]isoxazol-3-amine
CID 45484901

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 45484932) is 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3cc(-c4cccnc4)ccc23)cc1.
What is the InChIKey of 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is FNBDRRWLIIBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O/c20-19(21,22)14-4-6-15(7-5-14)24-18-16-8-3-12(10-17(16)26-25-18)13-2-1-9-23-11-13/h1-11H,(H,24,25).
What are the key properties of 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 355.32 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 45484932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).