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

C21H18N4O3S2 — CID 43039863

IUPAC2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccc(-c2csc(NC(=O)c3ccccc3OCc3noc(C)n3)n2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-13-22-19(25-28-13)11-27-18-6-4-3-5-16(18)20(26)24-21-23-17(12-30-21)14-7-9-15(29-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,23,24,26)
InChIKeyFWQHZMCSLGMBPE-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.05
Rot. Bonds7

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

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 43039863) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID43039863
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC Name2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCSc1ccc(-c2csc(NC(=O)c3ccccc3OCc3noc(C)n3)n2)cc1
InChIInChI=1S/C21H18N4O3S2/c1-13-22-19(25-28-13)11-27-18-6-4-3-5-16(18)20(26)24-21-23-17(12-30-21)14-7-9-15(29-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,23,24,26)
InChIKeyFWQHZMCSLGMBPE-UHFFFAOYSA-N
XLogP5.05
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592556
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 30176317
N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 24686372
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592826
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55895352
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)benzamide
CID 60564262
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
2-[[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]butanoic acid
CID 119224012
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide (CID 43039863) is 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide is CSc1ccc(-c2csc(NC(=O)c3ccccc3OCc3noc(C)n3)n2)cc1.
What is the InChIKey of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FWQHZMCSLGMBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-13-22-19(25-28-13)11-27-18-6-4-3-5-16(18)20(26)24-21-23-17(12-30-21)14-7-9-15(29-2)10-8-14/h3-10,12H,11H2,1-2H3,(H,23,24,26).
What are the key properties of 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 43039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).