3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole

C13H19N5O — CID 56780800

IUPAC3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CC(n3cc(C)cn3)C2)no1
InChIInChI=1S/C13H19N5O/c1-3-4-13-15-12(16-19-13)9-17-7-11(8-17)18-6-10(2)5-14-18/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyZWHHUXOSNCHQLY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.58
Rot. Bonds5

About 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole

3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 56780800) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID56780800
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(CN2CC(n3cc(C)cn3)C2)no1
InChIInChI=1S/C13H19N5O/c1-3-4-13-15-12(16-19-13)9-17-7-11(8-17)18-6-10(2)5-14-18/h5-6,11H,3-4,7-9H2,1-2H3
InChIKeyZWHHUXOSNCHQLY-UHFFFAOYSA-N
XLogP1.58
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole (CID 56780800) is 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(CN2CC(n3cc(C)cn3)C2)no1.
What is the InChIKey of 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is ZWHHUXOSNCHQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-4-13-15-12(16-19-13)9-17-7-11(8-17)18-6-10(2)5-14-18/h5-6,11H,3-4,7-9H2,1-2H3.
What are the key properties of 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole?
3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 56780800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).