N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

C12H10F3N3O2 — CID 138026513

IUPACN-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ocnc2C(F)(F)F)c(C)n1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-8(7(2)17-6)18-11(19)9-10(12(13,14)15)16-5-20-9/h3-5H,1-2H3,(H,18,19)
InChIKeyMTXVJTFTVULDCE-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.96
Rot. Bonds2

About N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide

N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (PubChem CID 138026513) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
PubChem CID138026513
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ocnc2C(F)(F)F)c(C)n1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-8(7(2)17-6)18-11(19)9-10(12(13,14)15)16-5-20-9/h3-5H,1-2H3,(H,18,19)
InChIKeyMTXVJTFTVULDCE-UHFFFAOYSA-N
XLogP2.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103097724
2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
CID 106854138
N-[4-[(2S)-butan-2-yl]sulfanyl-2-(trifluoromethyl)phenyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 95787464
4-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]-1,3-oxazole-5-carboxamide
CID 45255145
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987
methyl 5-methyl-2-[(4-methyl-1,3-oxazole-5-carbonyl)amino]benzoate
CID 79479514
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-(2-bromo-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 103819414
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
N-(2,6-dimethyl-3-pyridinyl)-2-methyl-2-(4-methylimidazol-1-yl)propanamide
CID 154770577
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
2,4-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxamide
CID 110684897

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide (CID 138026513) is N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is Cc1ccc(NC(=O)c2ocnc2C(F)(F)F)c(C)n1.
What is the InChIKey of N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
The InChIKey is MTXVJTFTVULDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-3-4-8(7(2)17-6)18-11(19)9-10(12(13,14)15)16-5-20-9/h3-5H,1-2H3,(H,18,19).
What are the key properties of N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide?
N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide has a molecular weight of 285.23 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 138026513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).