3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

C14H13N3O2S — CID 71931992

IUPAC3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H13N3O2S/c1-18-8-7-12-16-13(19-17-12)11-9-15-14(20-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyDVKMHBXNWTZJKK-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.05
Rot. Bonds5

About 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 71931992) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
PubChem CID71931992
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2cnc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H13N3O2S/c1-18-8-7-12-16-13(19-17-12)11-9-15-14(20-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3
InChIKeyDVKMHBXNWTZJKK-UHFFFAOYSA-N
XLogP3.05
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole (CID 71931992) is 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is COCCc1noc(-c2cnc(-c3ccccc3)s2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is DVKMHBXNWTZJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-18-8-7-12-16-13(19-17-12)11-9-15-14(20-11)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 287.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(2-phenyl-1,3-thiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 71931992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).