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

C23H20N4O2S — CID 53112589

IUPACN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1
InChIInChI=1S/C23H20N4O2S/c28-20(12-15-4-2-1-3-5-15)24-13-21-26-22(27-29-21)17-8-6-16(7-9-17)19-14-30-23(25-19)18-10-11-18/h1-9,14,18H,10-13H2,(H,24,28)
InChIKeyXYFJKVQBHTUISK-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.60
Rot. Bonds7

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

N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (PubChem CID 53112589) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
PubChem CID53112589
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1
InChIInChI=1S/C23H20N4O2S/c28-20(12-15-4-2-1-3-5-15)24-13-21-26-22(27-29-21)17-8-6-16(7-9-17)19-14-30-23(25-19)18-10-11-18/h1-9,14,18H,10-13H2,(H,24,28)
InChIKeyXYFJKVQBHTUISK-UHFFFAOYSA-N
XLogP4.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112573
N-[[3-[4-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112611
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53112540
N-[[3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 46296149
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
N-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 35619010
N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
3-amino-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 71668568
3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53035981
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyclopropyl-1,3-thiazol-4-yl)benzamide
CID 46394881
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methylphenyl)acetamide
CID 2997200

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide (CID 53112589) is N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCc1nc(-c2ccc(-c3csc(C4CC4)n3)cc2)no1.
What is the InChIKey of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
The InChIKey is XYFJKVQBHTUISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c28-20(12-15-4-2-1-3-5-15)24-13-21-26-22(27-29-21)17-8-6-16(7-9-17)19-14-30-23(25-19)18-10-11-18/h1-9,14,18H,10-13H2,(H,24,28).
What are the key properties of N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide?
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide has a molecular weight of 416.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 53112589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).