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

C12H10F3N3O2 — CID 137446585

IUPAC2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-8(5-16-6)18-11(19)9-10(12(13,14)15)20-7(2)17-9/h3-5H,1-2H3,(H,18,19)
InChIKeyINUHNCOSSSKHPV-UHFFFAOYSA-N
MW285.22 g/mol
LogP2.96
Rot. Bonds2

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

2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 137446585) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID137446585
Molecular FormulaC12H10F3N3O2
Molecular Weight285.22 g/mol
Exact Mass285.07
IUPAC Name2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1
InChIInChI=1S/C12H10F3N3O2/c1-6-3-4-8(5-16-6)18-11(19)9-10(12(13,14)15)20-7(2)17-9/h3-5H,1-2H3,(H,18,19)
InChIKeyINUHNCOSSSKHPV-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 ≤ 500285.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 137446585) is 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2nc(C)oc2C(F)(F)F)cn1.
What is the InChIKey of 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is INUHNCOSSSKHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-6-3-4-8(5-16-6)18-11(19)9-10(12(13,14)15)20-7(2)17-9/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 285.22 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 2-methyl-N-(6-methyl-3-pyridinyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 137446585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).