2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide

C20H16Cl2F3N3O3 — CID 53307604

IUPAC2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29)
InChIKeySOEIDCOJJGHLKZ-UHFFFAOYSA-N
MW474.27 g/mol
LogP5.15
Rot. Bonds7

About 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide

2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide (PubChem CID 53307604) has the molecular formula C20H16Cl2F3N3O3 and a molecular weight of 474.27 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
PubChem CID53307604
Molecular FormulaC20H16Cl2F3N3O3
Molecular Weight474.27 g/mol
Exact Mass473.05
IUPAC Name2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
SMILESCc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29)
InChIKeySOEIDCOJJGHLKZ-UHFFFAOYSA-N
XLogP5.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.27
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide (CID 53307604) is 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide is Cc1onc(-c2c(Cl)cccc2Cl)c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
The InChIKey is SOEIDCOJJGHLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29).
What are the key properties of 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide?
2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide has a molecular weight of 474.27 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 53307604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).