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

C22H19N5O3S — CID 45497643

IUPACN-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1csc(NC(=O)Cc2ccccc2)n1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H19N5O3S/c28-18(23-13-20-26-21(27-30-20)16-9-5-2-6-10-16)12-17-14-31-22(24-17)25-19(29)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,23,28)(H,24,25,29)
InChIKeyYBFFNMARDCVSHG-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.23
Rot. Bonds8

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

N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 45497643) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID45497643
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1csc(NC(=O)Cc2ccccc2)n1)NCc1nc(-c2ccccc2)no1
InChIInChI=1S/C22H19N5O3S/c28-18(23-13-20-26-21(27-30-20)16-9-5-2-6-10-16)12-17-14-31-22(24-17)25-19(29)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,23,28)(H,24,25,29)
InChIKeyYBFFNMARDCVSHG-UHFFFAOYSA-N
XLogP3.23
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide (CID 45497643) is N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1csc(NC(=O)Cc2ccccc2)n1)NCc1nc(-c2ccccc2)no1.
What is the InChIKey of N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is YBFFNMARDCVSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-18(23-13-20-26-21(27-30-20)16-9-5-2-6-10-16)12-17-14-31-22(24-17)25-19(29)11-15-7-3-1-4-8-15/h1-10,14H,11-13H2,(H,23,28)(H,24,25,29).
What are the key properties of N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 433.49 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 45497643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).