2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide

C23H22N4O3S — CID 70801229

IUPAC2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cc1nnc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1
InChIInChI=1S/C23H22N4O3S/c1-15(14-28)24-18(29)12-19-26-27-20(30-19)13-21-25-22(16-8-4-2-5-9-16)23(31-21)17-10-6-3-7-11-17/h2-11,15,28H,12-14H2,1H3,(H,24,29)
InChIKeyNAFXCPXJUJQMOL-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.49
Rot. Bonds8

About 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide

2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 70801229) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID70801229
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)Cc1nnc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1
InChIInChI=1S/C23H22N4O3S/c1-15(14-28)24-18(29)12-19-26-27-20(30-19)13-21-25-22(16-8-4-2-5-9-16)23(31-21)17-10-6-3-7-11-17/h2-11,15,28H,12-14H2,1H3,(H,24,29)
InChIKeyNAFXCPXJUJQMOL-UHFFFAOYSA-N
XLogP3.49
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95100278
2-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95100279
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 154194483
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 52906307
N-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62543017
N-(5-methyl-1,3-thiazol-2-yl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 88981687
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
N-(4-aminophenyl)-2-[5-[(6-phenyl-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 88981712
6-[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-N-hydroxyhexanamide
CID 11553120
N-(1-hydroxypropan-2-yl)-2-(2-methyl-4-phenylquinolin-3-yl)acetamide
CID 110887326
N-[(2R)-1-hydroxypropan-2-yl]-3-(7-methoxy-2-oxo-4-phenylchromen-6-yl)propanamide
CID 100906391

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide (CID 70801229) is 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)NC(=O)Cc1nnc(Cc2nc(-c3ccccc3)c(-c3ccccc3)s2)o1.
What is the InChIKey of 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is NAFXCPXJUJQMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15(14-28)24-18(29)12-19-26-27-20(30-19)13-21-25-22(16-8-4-2-5-9-16)23(31-21)17-10-6-3-7-11-17/h2-11,15,28H,12-14H2,1H3,(H,24,29).
What are the key properties of 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide?
2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 434.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4,5-diphenyl-1,3-thiazol-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-N-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 70801229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).