3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

C20H19F3N4O3 — CID 46447470

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccnc3OCC(F)(F)F)o2)cc1
InChIInChI=1S/C20H19F3N4O3/c1-13-4-6-14(7-5-13)19-27-26-17(30-19)9-8-16(28)25-11-15-3-2-10-24-18(15)29-12-20(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,28)
InChIKeyIEUOBKDEOSWCNF-UHFFFAOYSA-N
MW420.39 g/mol
LogP3.63
Rot. Bonds8

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (PubChem CID 46447470) has the molecular formula C20H19F3N4O3 and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
PubChem CID46447470
Molecular FormulaC20H19F3N4O3
Molecular Weight420.39 g/mol
Exact Mass420.14
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccnc3OCC(F)(F)F)o2)cc1
InChIInChI=1S/C20H19F3N4O3/c1-13-4-6-14(7-5-13)19-27-26-17(30-19)9-8-16(28)25-11-15-3-2-10-24-18(15)29-12-20(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,28)
InChIKeyIEUOBKDEOSWCNF-UHFFFAOYSA-N
XLogP3.63
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
N-[(2-fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335037
N-[2-(2-methoxyphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51231780
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pyridin-2-ylpropanamide
CID 18107156
2-methyl-1-[(4-methylphenyl)methyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111245298
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334300
2-hydroxy-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 37297652
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548
N-[(2-methoxyphenyl)methyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330378
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
N,N-dimethyl-4-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]methyl]benzamide
CID 46541686
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 35672961

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide (CID 46447470) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCc3cccnc3OCC(F)(F)F)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
The InChIKey is IEUOBKDEOSWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O3/c1-13-4-6-14(7-5-13)19-27-26-17(30-19)9-8-16(28)25-11-15-3-2-10-24-18(15)29-12-20(21,22)23/h2-7,10H,8-9,11-12H2,1H3,(H,25,28).
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide has a molecular weight of 420.39 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 46447470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).