N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide

C17H13F4N3O2 — CID 11988925

IUPACN-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)c1cccc2onc(NC(=O)c3cccc(C(F)(F)F)c3F)c12
InChIInChI=1S/C17H13F4N3O2/c1-24(2)11-7-4-8-12-13(11)15(23-26-12)22-16(25)9-5-3-6-10(14(9)18)17(19,20)21/h3-8H,1-2H3,(H,22,23,25)
InChIKeySQYKMYPWHXOSND-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.30
Rot. Bonds3

About N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide

N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide (PubChem CID 11988925) has the molecular formula C17H13F4N3O2 and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide
PubChem CID11988925
Molecular FormulaC17H13F4N3O2
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC NameN-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide
SMILESCN(C)c1cccc2onc(NC(=O)c3cccc(C(F)(F)F)c3F)c12
InChIInChI=1S/C17H13F4N3O2/c1-24(2)11-7-4-8-12-13(11)15(23-26-12)22-16(25)9-5-3-6-10(14(9)18)17(19,20)21/h3-8H,1-2H3,(H,22,23,25)
InChIKeySQYKMYPWHXOSND-UHFFFAOYSA-N
XLogP4.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-3-(4-methylsulfanylphenyl)thiourea
CID 15982076
N-(1,2-benzoxazol-3-yl)-2,3-difluorobenzamide
CID 11988661
N-(5-fluoro-1,2-benzoxazol-3-yl)-2-(trifluoromethyl)benzamide
CID 11988534
2-fluoro-N-(6-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 79883704
2-fluoro-N-hydroxy-3-(trifluoromethyl)benzamide
CID 18696136
2-fluoro-N-(1,2-oxazol-4-yl)-3-(trifluoromethyl)benzamide
CID 79884775
N-[4-(dimethylamino)butan-2-yl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 71976318
2-fluoro-N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)benzamide
CID 79885826
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046
N-(4-chloro-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 115681910
N-butan-2-yl-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885795
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide (CID 11988925) is N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide is CN(C)c1cccc2onc(NC(=O)c3cccc(C(F)(F)F)c3F)c12.
What is the InChIKey of N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
The InChIKey is SQYKMYPWHXOSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2/c1-24(2)11-7-4-8-12-13(11)15(23-26-12)22-16(25)9-5-3-6-10(14(9)18)17(19,20)21/h3-8H,1-2H3,(H,22,23,25).
What are the key properties of N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide?
N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide has a molecular weight of 367.30 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-1,2-benzoxazol-3-yl]-2-fluoro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11988925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).