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

C21H18N4O2S — CID 53112540

IUPACN-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCc1nc(-c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-2-19-23-17(13-28-19)14-8-10-15(11-9-14)20-24-18(27-25-20)12-22-21(26)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,22,26)
InChIKeyBUIKHWJLUYXBDZ-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.35
Rot. Bonds6

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

N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 53112540) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID53112540
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESCCc1nc(-c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cs1
InChIInChI=1S/C21H18N4O2S/c1-2-19-23-17(13-28-19)14-8-10-15(11-9-14)20-24-18(27-25-20)12-22-21(26)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,22,26)
InChIKeyBUIKHWJLUYXBDZ-UHFFFAOYSA-N
XLogP4.35
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2-ethyl-1,3-benzoxazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53141079
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
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 121094244
N-[[3-[4-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53112589
3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53035951
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(2-methyl-1,3-thiazol-4-yl)furan-3-carboxamide
CID 86957867
2-ethylsulfanyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 6463503
N-[[3-(3-ethylbenzotriazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53172597
N-[[3-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 59643509
N-ethyl-N'-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]oxamide
CID 47093633
N-[[3-[5-[(propanoylamino)methyl]thiophen-2-yl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 53126049

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 53112540) is N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is CCc1nc(-c2ccc(-c3noc(CNC(=O)c4ccccc4)n3)cc2)cs1.
What is the InChIKey of N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is BUIKHWJLUYXBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-2-19-23-17(13-28-19)14-8-10-15(11-9-14)20-24-18(27-25-20)12-22-21(26)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,22,26).
What are the key properties of N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide?
N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 390.47 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 53112540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).