N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide

C19H15N5O3S — CID 50746907

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1nnc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)s1
InChIInChI=1S/C19H15N5O3S/c1-12-22-23-19(28-12)20-16(25)11-26-15-9-7-14(8-10-15)18-21-17(24-27-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23,25)
InChIKeyAXQKOOIIPALGBI-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.58
Rot. Bonds6

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 50746907) has the molecular formula C19H15N5O3S and a molecular weight of 393.43 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID50746907
Molecular FormulaC19H15N5O3S
Molecular Weight393.43 g/mol
Exact Mass393.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCc1nnc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)s1
InChIInChI=1S/C19H15N5O3S/c1-12-22-23-19(28-12)20-16(25)11-26-15-9-7-14(8-10-15)18-21-17(24-27-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23,25)
InChIKeyAXQKOOIIPALGBI-UHFFFAOYSA-N
XLogP3.58
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266527
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
CID 175653207
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(1R)-1-phenylethyl]acetamide
CID 39818952
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 50746907) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is Cc1nnc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is AXQKOOIIPALGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3S/c1-12-22-23-19(28-12)20-16(25)11-26-15-9-7-14(8-10-15)18-21-17(24-27-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,23,25).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 393.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 50746907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).