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

C12H15N5O — CID 56781190

IUPAC5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnn(C2CN(Cc3noc(C4CC4)n3)C2)c1
InChIInChI=1S/C12H15N5O/c1-4-13-17(5-1)10-6-16(7-10)8-11-14-12(18-15-11)9-2-3-9/h1,4-5,9-10H,2-3,6-8H2
InChIKeyQXIUYVWBDUQIKO-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.20
Rot. Bonds4

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

5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 56781190) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID56781190
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1cnn(C2CN(Cc3noc(C4CC4)n3)C2)c1
InChIInChI=1S/C12H15N5O/c1-4-13-17(5-1)10-6-16(7-10)8-11-14-12(18-15-11)9-2-3-9/h1,4-5,9-10H,2-3,6-8H2
InChIKeyQXIUYVWBDUQIKO-UHFFFAOYSA-N
XLogP1.20
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole (CID 56781190) is 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is c1cnn(C2CN(Cc3noc(C4CC4)n3)C2)c1.
What is the InChIKey of 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is QXIUYVWBDUQIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-4-13-17(5-1)10-6-16(7-10)8-11-14-12(18-15-11)9-2-3-9/h1,4-5,9-10H,2-3,6-8H2.
What are the key properties of 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 245.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56781190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).