5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole

C16H17N3O3S — CID 71918844

IUPAC5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCCOc1ccccc1OCc1noc(-c2scnc2C)n1
InChIInChI=1S/C16H17N3O3S/c1-3-8-20-12-6-4-5-7-13(12)21-9-14-18-16(22-19-14)15-11(2)17-10-23-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUKBXZLBHDGECJR-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.87
Rot. Bonds7

About 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole

5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 71918844) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID71918844
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCCOc1ccccc1OCc1noc(-c2scnc2C)n1
InChIInChI=1S/C16H17N3O3S/c1-3-8-20-12-6-4-5-7-13(12)21-9-14-18-16(22-19-14)15-11(2)17-10-23-15/h4-7,10H,3,8-9H2,1-2H3
InChIKeyUKBXZLBHDGECJR-UHFFFAOYSA-N
XLogP3.87
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 71918844) is 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole is CCCOc1ccccc1OCc1noc(-c2scnc2C)n1.
What is the InChIKey of 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is UKBXZLBHDGECJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-3-8-20-12-6-4-5-7-13(12)21-9-14-18-16(22-19-14)15-11(2)17-10-23-15/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole?
5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 331.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1,3-thiazol-5-yl)-3-[(2-propoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71918844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).