3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

C15H13N3O2S — CID 97444146

IUPAC3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2csc(-c3nc([C@H]4CCOC4)no3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-4-10(5-3-1)12-9-21-15(16-12)14-17-13(18-20-14)11-6-7-19-8-11/h1-5,9,11H,6-8H2/t11-/m0/s1
InChIKeyIWPZKNZDPANLFQ-NSHDSACASA-N
MW299.35 g/mol
LogP3.36
Rot. Bonds3

About 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole

3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (PubChem CID 97444146) has the molecular formula C15H13N3O2S and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
PubChem CID97444146
Molecular FormulaC15H13N3O2S
Molecular Weight299.35 g/mol
Exact Mass299.07
IUPAC Name3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2csc(-c3nc([C@H]4CCOC4)no3)n2)cc1
InChIInChI=1S/C15H13N3O2S/c1-2-4-10(5-3-1)12-9-21-15(16-12)14-17-13(18-20-14)11-6-7-19-8-11/h1-5,9,11H,6-8H2/t11-/m0/s1
InChIKeyIWPZKNZDPANLFQ-NSHDSACASA-N
XLogP3.36
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole (CID 97444146) is 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is c1ccc(-c2csc(-c3nc([C@H]4CCOC4)no3)n2)cc1.
What is the InChIKey of 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is IWPZKNZDPANLFQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-2-4-10(5-3-1)12-9-21-15(16-12)14-17-13(18-20-14)11-6-7-19-8-11/h1-5,9,11H,6-8H2/t11-/m0/s1.
What are the key properties of 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole?
3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 299.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-oxolan-3-yl]-5-(4-phenyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 97444146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).