3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole

C16H17N5O — CID 56781222

IUPAC3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(-c2ccccc2)no1)N1CC(n2cccn2)C1
InChIInChI=1S/C16H17N5O/c1-12(20-10-14(11-20)21-9-5-8-17-21)16-18-15(19-22-16)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3
InChIKeyGYJPVCNPPAGLRD-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.55
Rot. Bonds4

About 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole

3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 56781222) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
PubChem CID56781222
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(c1nc(-c2ccccc2)no1)N1CC(n2cccn2)C1
InChIInChI=1S/C16H17N5O/c1-12(20-10-14(11-20)21-9-5-8-17-21)16-18-15(19-22-16)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3
InChIKeyGYJPVCNPPAGLRD-UHFFFAOYSA-N
XLogP2.55
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole (CID 56781222) is 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole is CC(c1nc(-c2ccccc2)no1)N1CC(n2cccn2)C1.
What is the InChIKey of 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is GYJPVCNPPAGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12(20-10-14(11-20)21-9-5-8-17-21)16-18-15(19-22-16)13-6-3-2-4-7-13/h2-9,12,14H,10-11H2,1H3.
What are the key properties of 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole?
3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 295.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56781222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).