N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide

C20H16N4O2S — CID 11667956

IUPACN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1
InChIInChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)
InChIKeyBRLKYKRCBSWGPU-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.35
Rot. Bonds5

About N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide

N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 11667956) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID11667956
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1
InChIInChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25)
InChIKeyBRLKYKRCBSWGPU-UHFFFAOYSA-N
XLogP4.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide (CID 11667956) is N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide is Cc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1.
What is the InChIKey of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is BRLKYKRCBSWGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-21-19(24-26-13)18-17(15-10-6-3-7-11-15)23-20(27-18)22-16(25)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,22,23,25).
What are the key properties of N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 376.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 11667956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).