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

C11H15N5O — CID 56781238

IUPAC2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CC(n3cccn3)C2)o1
InChIInChI=1S/C11H15N5O/c1-2-10-13-14-11(17-10)8-15-6-9(7-15)16-5-3-4-12-16/h3-5,9H,2,6-8H2,1H3
InChIKeyOAOZNUAZSKGTAG-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.89
Rot. Bonds4

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

2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 56781238) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID56781238
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(CN2CC(n3cccn3)C2)o1
InChIInChI=1S/C11H15N5O/c1-2-10-13-14-11(17-10)8-15-6-9(7-15)16-5-3-4-12-16/h3-5,9H,2,6-8H2,1H3
InChIKeyOAOZNUAZSKGTAG-UHFFFAOYSA-N
XLogP0.89
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole (CID 56781238) is 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(CN2CC(n3cccn3)C2)o1.
What is the InChIKey of 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is OAOZNUAZSKGTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-10-13-14-11(17-10)8-15-6-9(7-15)16-5-3-4-12-16/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56781238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).