2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

C24H14F3N3O2 — CID 102443424

IUPAC2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C24H14F3N3O2/c25-24(26,27)15-10-11-16(23-30-18-7-1-2-9-20(18)32-23)17(13-15)22(31)29-19-8-3-5-14-6-4-12-28-21(14)19/h1-13H,(H,29,31)
InChIKeyFRHUAJBCRRVVIN-UHFFFAOYSA-N
MW433.39 g/mol
LogP6.31
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide

2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (PubChem CID 102443424) has the molecular formula C24H14F3N3O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
PubChem CID102443424
Molecular FormulaC24H14F3N3O2
Molecular Weight433.39 g/mol
Exact Mass433.10
IUPAC Name2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1nc2ccccc2o1
InChIInChI=1S/C24H14F3N3O2/c25-24(26,27)15-10-11-16(23-30-18-7-1-2-9-20(18)32-23)17(13-15)22(31)29-19-8-3-5-14-6-4-12-28-21(14)19/h1-13H,(H,29,31)
InChIKeyFRHUAJBCRRVVIN-UHFFFAOYSA-N
XLogP6.31
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
N-[3-(1,3-benzoxazol-2-yl)-5-(1H-indol-4-yl)phenyl]acetamide
CID 15603614
(2S)-2-(1-naphthylamino)-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
CID 71662776
US11866436, Example 163
CID 169018116
US11866436, Example 162
CID 169018118
N-(2-ethoxyphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 16023909
6-[Ethyl(methoxy)phosphoryl]-2-quinolin-7-yl-1,3-benzoxazole
CID 156012053
5-[Ethyl(methoxy)phosphoryl]-2-quinolin-7-yl-1,3-benzoxazole
CID 156018104
N-(1,3-benzoxazol-2-ylmethyl)-N-[[4-[(2-pyridylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 22018741
4-(1,3-Benzoxazol-2-yl)quinoline
CID 618687
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
US10035777, Example 93
CID 118864301

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide (CID 102443424) is 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2cccnc12)c1cc(C(F)(F)F)ccc1-c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
The InChIKey is FRHUAJBCRRVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N3O2/c25-24(26,27)15-10-11-16(23-30-18-7-1-2-9-20(18)32-23)17(13-15)22(31)29-19-8-3-5-14-6-4-12-28-21(14)19/h1-13H,(H,29,31).
What are the key properties of 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide?
2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide has a molecular weight of 433.39 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-N-quinolin-8-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 102443424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).