5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

C16H14N4O — CID 71859061

IUPAC5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(-c4cnccn4)no3)CCC2)cc1
InChIInChI=1S/C16H14N4O/c1-2-5-12(6-3-1)16(7-4-8-16)15-19-14(20-21-15)13-11-17-9-10-18-13/h1-3,5-6,9-11H,4,7-8H2
InChIKeyRVQODRDWOZMGJE-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.00
Rot. Bonds3

About 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole

5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 71859061) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID71859061
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C2(c3nc(-c4cnccn4)no3)CCC2)cc1
InChIInChI=1S/C16H14N4O/c1-2-5-12(6-3-1)16(7-4-8-16)15-19-14(20-21-15)13-11-17-9-10-18-13/h1-3,5-6,9-11H,4,7-8H2
InChIKeyRVQODRDWOZMGJE-UHFFFAOYSA-N
XLogP3.00
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 71859061) is 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is c1ccc(C2(c3nc(-c4cnccn4)no3)CCC2)cc1.
What is the InChIKey of 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is RVQODRDWOZMGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-5-12(6-3-1)16(7-4-8-16)15-19-14(20-21-15)13-11-17-9-10-18-13/h1-3,5-6,9-11H,4,7-8H2.
What are the key properties of 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 278.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylcyclobutyl)-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71859061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).