N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C18H15F3N4O2 — CID 55757393

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C18H15F3N4O2/c1-25(2)15-6-5-12(18(19,20)21)8-13(15)23-17(26)14-9-16(27-24-14)11-4-3-7-22-10-11/h3-10H,1-2H3,(H,23,26)
InChIKeySIKSFPIFHXABDB-UHFFFAOYSA-N
MW376.34 g/mol
LogP4.07
Rot. Bonds4

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 55757393) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID55757393
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESCN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccnc2)on1
InChIInChI=1S/C18H15F3N4O2/c1-25(2)15-6-5-12(18(19,20)21)8-13(15)23-17(26)14-9-16(27-24-14)11-4-3-7-22-10-11/h3-10H,1-2H3,(H,23,26)
InChIKeySIKSFPIFHXABDB-UHFFFAOYSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methyl-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119049246
N-[3-(dimethylamino)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 53051794
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112
5-pyridin-3-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 166209272
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 71893214
5-(4-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17252743
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 78884142
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 122302827

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 55757393) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SIKSFPIFHXABDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-25(2)15-6-5-12(18(19,20)21)8-13(15)23-17(26)14-9-16(27-24-14)11-4-3-7-22-10-11/h3-10H,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55757393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).