2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide

C22H19N3O2S — CID 86991374

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H19N3O2S/c26-20(12-18-15-28-22(25-18)11-16-7-3-1-4-8-16)23-14-21-24-13-19(27-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26)
InChIKeyOCFTUUVLKHCHTG-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.25
Rot. Bonds7

About 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 86991374) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID86991374
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESO=C(Cc1csc(Cc2ccccc2)n1)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H19N3O2S/c26-20(12-18-15-28-22(25-18)11-16-7-3-1-4-8-16)23-14-21-24-13-19(27-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26)
InChIKeyOCFTUUVLKHCHTG-UHFFFAOYSA-N
XLogP4.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39933181
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38304679
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 38700582

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide (CID 86991374) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide is O=C(Cc1csc(Cc2ccccc2)n1)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is OCFTUUVLKHCHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-20(12-18-15-28-22(25-18)11-16-7-3-1-4-8-16)23-14-21-24-13-19(27-21)17-9-5-2-6-10-17/h1-10,13,15H,11-12,14H2,(H,23,26).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 389.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 86991374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).