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

C19H16N4O3S — CID 24686372

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)no1
InChIInChI=1S/C19H16N4O3S/c1-11-6-5-9-15-17(11)21-19(27-15)22-18(24)13-7-3-4-8-14(13)25-10-16-20-12(2)26-23-16/h3-9H,10H2,1-2H3,(H,21,22,24)
InChIKeyNUHSVLKNTJIHPY-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.13
Rot. Bonds5

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

N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 24686372) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID24686372
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)no1
InChIInChI=1S/C19H16N4O3S/c1-11-6-5-9-15-17(11)21-19(27-15)22-18(24)13-7-3-4-8-14(13)25-10-16-20-12(2)26-23-16/h3-9H,10H2,1-2H3,(H,21,22,24)
InChIKeyNUHSVLKNTJIHPY-UHFFFAOYSA-N
XLogP4.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 31301282
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592826
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
N-(4-methoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46688985
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16579605
N-(4-tert-butylphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46673190
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16592556
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 16598028
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16592447
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-quinolin-3-ylbenzamide
CID 31031173
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 31301441

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 24686372) is N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2nc3c(C)cccc3s2)no1.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is NUHSVLKNTJIHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-11-6-5-9-15-17(11)21-19(27-15)22-18(24)13-7-3-4-8-14(13)25-10-16-20-12(2)26-23-16/h3-9H,10H2,1-2H3,(H,21,22,24).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 380.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 24686372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).