6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole

C14H8N4O2 — CID 44545184

IUPAC6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole
SMILESc1cncc(-c2noc(-c3ccc4ncoc4c3)n2)c1
InChIInChI=1S/C14H8N4O2/c1-2-10(7-15-5-1)13-17-14(20-18-13)9-3-4-11-12(6-9)19-8-16-11/h1-8H
InChIKeyRQVFVGFWHIRERH-UHFFFAOYSA-N
MW264.24 g/mol
LogP2.94
Rot. Bonds2

About 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole

6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole (PubChem CID 44545184) has the molecular formula C14H8N4O2 and a molecular weight of 264.24 g/mol. Its IUPAC name is 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole
PubChem CID44545184
Molecular FormulaC14H8N4O2
Molecular Weight264.24 g/mol
Exact Mass264.06
IUPAC Name6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole
SMILESc1cncc(-c2noc(-c3ccc4ncoc4c3)n2)c1
InChIInChI=1S/C14H8N4O2/c1-2-10(7-15-5-1)13-17-14(20-18-13)9-3-4-11-12(6-9)19-8-16-11/h1-8H
InChIKeyRQVFVGFWHIRERH-UHFFFAOYSA-N
XLogP2.94
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole (CID 44545184) is 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole is c1cncc(-c2noc(-c3ccc4ncoc4c3)n2)c1.
What is the InChIKey of 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole?
The InChIKey is RQVFVGFWHIRERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2/c1-2-10(7-15-5-1)13-17-14(20-18-13)9-3-4-11-12(6-9)19-8-16-11/h1-8H.
What are the key properties of 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole?
6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole has a molecular weight of 264.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 44545184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).