2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

C15H16F3N3O3 — CID 39501724

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O3/c1-9-12(10(2)24-21-9)6-13(22)20-7-11-3-4-19-14(5-11)23-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H,20,22)
InChIKeyUTYWVPZHZUZLOX-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.49
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (PubChem CID 39501724) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
PubChem CID39501724
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCc1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C15H16F3N3O3/c1-9-12(10(2)24-21-9)6-13(22)20-7-11-3-4-19-14(5-11)23-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H,20,22)
InChIKeyUTYWVPZHZUZLOX-UHFFFAOYSA-N
XLogP2.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide (CID 39501724) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is Cc1noc(C)c1CC(=O)NCc1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
The InChIKey is UTYWVPZHZUZLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-9-12(10(2)24-21-9)6-13(22)20-7-11-3-4-19-14(5-11)23-8-15(16,17)18/h3-5H,6-8H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide has a molecular weight of 343.31 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide is sourced from PubChem (CID 39501724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).