3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole

C16H15N5OS — CID 91624204

IUPAC3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cncnc3N3CCSCC3)n2)cc1
InChIInChI=1S/C16H15N5OS/c1-2-4-12(5-3-1)14-19-16(22-20-14)13-10-17-11-18-15(13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2
InChIKeyUXPNMXHJJDYFNU-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.75
Rot. Bonds3

About 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole

3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 91624204) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID91624204
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3cncnc3N3CCSCC3)n2)cc1
InChIInChI=1S/C16H15N5OS/c1-2-4-12(5-3-1)14-19-16(22-20-14)13-10-17-11-18-15(13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2
InChIKeyUXPNMXHJJDYFNU-UHFFFAOYSA-N
XLogP2.75
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole (CID 91624204) is 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole is c1ccc(-c2noc(-c3cncnc3N3CCSCC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is UXPNMXHJJDYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-2-4-12(5-3-1)14-19-16(22-20-14)13-10-17-11-18-15(13)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2.
What are the key properties of 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole?
3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 325.40 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(4-thiomorpholin-4-ylpyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 91624204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).