3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide

C14H14F3N3O3 — CID 39501951

IUPAC3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3/c1-8-12(9(2)23-20-8)13(21)19-6-10-3-4-18-11(5-10)22-7-14(15,16)17/h3-5H,6-7H2,1-2H3,(H,19,21)
InChIKeyQHXCXTTYPFMYBC-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.56
Rot. Bonds5

About 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (PubChem CID 39501951) has the molecular formula C14H14F3N3O3 and a molecular weight of 329.28 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
PubChem CID39501951
Molecular FormulaC14H14F3N3O3
Molecular Weight329.28 g/mol
Exact Mass329.10
IUPAC Name3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H14F3N3O3/c1-8-12(9(2)23-20-8)13(21)19-6-10-3-4-18-11(5-10)22-7-14(15,16)17/h3-5H,6-7H2,1-2H3,(H,19,21)
InChIKeyQHXCXTTYPFMYBC-UHFFFAOYSA-N
XLogP2.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide (CID 39501951) is 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is QHXCXTTYPFMYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3/c1-8-12(9(2)23-20-8)13(21)19-6-10-3-4-18-11(5-10)22-7-14(15,16)17/h3-5H,6-7H2,1-2H3,(H,19,21).
What are the key properties of 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 329.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 39501951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).