N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C17H17ClN4O3S — CID 93242361

IUPACN-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1nnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H17ClN4O3S/c1-10-14(11(2)25-22-10)9-15(23)19-17-21-20-16(26-17)7-8-24-13-5-3-12(18)4-6-13/h3-6H,7-9H2,1-2H3,(H,19,21,23)
InChIKeyNXEYPBPJYGLZNB-UHFFFAOYSA-N
MW392.87 g/mol
LogP3.60
Rot. Bonds7

About N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 93242361) has the molecular formula C17H17ClN4O3S and a molecular weight of 392.87 g/mol. Its IUPAC name is N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID93242361
Molecular FormulaC17H17ClN4O3S
Molecular Weight392.87 g/mol
Exact Mass392.07
IUPAC NameN-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1nnc(CCOc2ccc(Cl)cc2)s1
InChIInChI=1S/C17H17ClN4O3S/c1-10-14(11(2)25-22-10)9-15(23)19-17-21-20-16(26-17)7-8-24-13-5-3-12(18)4-6-13/h3-6H,7-9H2,1-2H3,(H,19,21,23)
InChIKeyNXEYPBPJYGLZNB-UHFFFAOYSA-N
XLogP3.60
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 43020399
3-(4-chlorophenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 108802955
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 9118132
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 24628804
N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 29388586
N-[5-[2-(4-methoxyphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 71946087
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 1382193
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
2-(4-methoxyphenyl)-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17319688
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71247963

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 93242361) is N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)Nc1nnc(CCOc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is NXEYPBPJYGLZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3S/c1-10-14(11(2)25-22-10)9-15(23)19-17-21-20-16(26-17)7-8-24-13-5-3-12(18)4-6-13/h3-6H,7-9H2,1-2H3,(H,19,21,23).
What are the key properties of N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 392.87 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 93242361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).