N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide

C22H19FN4O3S — CID 24599486

IUPACN-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C22H19FN4O3S/c1-13-4-9-19(14(2)10-13)27(15(3)28)21-24-18(12-31-21)11-26-22(29)30-20(25-26)16-5-7-17(23)8-6-16/h4-10,12H,11H2,1-3H3
InChIKeyOZSVDUUKUONQJS-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.45
Rot. Bonds5

About N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 24599486) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID24599486
Molecular FormulaC22H19FN4O3S
Molecular Weight438.48 g/mol
Exact Mass438.12
IUPAC NameN-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1)c1ccc(C)cc1C
InChIInChI=1S/C22H19FN4O3S/c1-13-4-9-19(14(2)10-13)27(15(3)28)21-24-18(12-31-21)11-26-22(29)30-20(25-26)16-5-7-17(23)8-6-16/h4-10,12H,11H2,1-3H3
InChIKeyOZSVDUUKUONQJS-UHFFFAOYSA-N
XLogP4.45
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 24599486) is N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1)c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OZSVDUUKUONQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-13-4-9-19(14(2)10-13)27(15(3)28)21-24-18(12-31-21)11-26-22(29)30-20(25-26)16-5-7-17(23)8-6-16/h4-10,12H,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24599486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).