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

C20H17N5O4S — CID 46266527

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOCc1nnc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)s1
InChIInChI=1S/C20H17N5O4S/c1-27-12-17-23-24-20(30-17)21-16(26)11-28-15-9-5-8-14(10-15)19-22-18(25-29-19)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,21,24,26)
InChIKeyDDSJRLXIFJPVOA-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.42
Rot. Bonds8

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

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (PubChem CID 46266527) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
PubChem CID46266527
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
SMILESCOCc1nnc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)s1
InChIInChI=1S/C20H17N5O4S/c1-27-12-17-23-24-20(30-17)21-16(26)11-28-15-9-5-8-14(10-15)19-22-18(25-29-19)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,21,24,26)
InChIKeyDDSJRLXIFJPVOA-UHFFFAOYSA-N
XLogP3.42
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 50746907
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
2-phenoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 872730
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
2-(4-bromo-3-methylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178715
2-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1,3-thiazol-2-yl)acetamide
CID 46266687
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide (CID 46266527) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is COCc1nnc(NC(=O)COc2cccc(-c3nc(-c4ccccc4)no3)c2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
The InChIKey is DDSJRLXIFJPVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-27-12-17-23-24-20(30-17)21-16(26)11-28-15-9-5-8-14(10-15)19-22-18(25-29-19)13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,21,24,26).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide has a molecular weight of 423.45 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide is sourced from PubChem (CID 46266527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).