3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole

C16H14N4O — CID 65263054

IUPAC3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CNCC2c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O/c1-2-4-13-12(3-1)9-18-10-14(13)16-19-15(20-21-16)11-5-7-17-8-6-11/h1-8,14,18H,9-10H2
InChIKeyUSGUPOIBXUIGGS-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.37
Rot. Bonds2

About 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole

3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 65263054) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID65263054
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CNCC2c1nc(-c2ccncc2)no1
InChIInChI=1S/C16H14N4O/c1-2-4-13-12(3-1)9-18-10-14(13)16-19-15(20-21-16)11-5-7-17-8-6-11/h1-8,14,18H,9-10H2
InChIKeyUSGUPOIBXUIGGS-UHFFFAOYSA-N
XLogP2.37
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole (CID 65263054) is 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole is c1ccc2c(c1)CNCC2c1nc(-c2ccncc2)no1.
What is the InChIKey of 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is USGUPOIBXUIGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-4-13-12(3-1)9-18-10-14(13)16-19-15(20-21-16)11-5-7-17-8-6-11/h1-8,14,18H,9-10H2.
What are the key properties of 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65263054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).