4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide

C12H8ClF3N4O3 — CID 4564320

IUPAC4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide
SMILESCc1onc(C(N)=O)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N4O3/c1-4-7(8(9(17)21)20-23-4)11(22)19-10-6(13)2-5(3-18-10)12(14,15)16/h2-3H,1H3,(H2,17,21)(H,18,19,22)
InChIKeyXGNOKWYHRIGUMW-UHFFFAOYSA-N
MW348.67 g/mol
LogP2.40
Rot. Bonds3

About 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide (PubChem CID 4564320) has the molecular formula C12H8ClF3N4O3 and a molecular weight of 348.67 g/mol. Its IUPAC name is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide
PubChem CID4564320
Molecular FormulaC12H8ClF3N4O3
Molecular Weight348.67 g/mol
Exact Mass348.02
IUPAC Name4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide
SMILESCc1onc(C(N)=O)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N4O3/c1-4-7(8(9(17)21)20-23-4)11(22)19-10-6(13)2-5(3-18-10)12(14,15)16/h2-3H,1H3,(H2,17,21)(H,18,19,22)
InChIKeyXGNOKWYHRIGUMW-UHFFFAOYSA-N
XLogP2.40
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide?
The IUPAC name of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide (CID 4564320) is 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide?
The canonical SMILES for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide is Cc1onc(C(N)=O)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide?
The InChIKey is XGNOKWYHRIGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N4O3/c1-4-7(8(9(17)21)20-23-4)11(22)19-10-6(13)2-5(3-18-10)12(14,15)16/h2-3H,1H3,(H2,17,21)(H,18,19,22).
What are the key properties of 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide?
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide has a molecular weight of 348.67 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,2-oxazole-3,4-dicarboxamide is sourced from PubChem (CID 4564320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).