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

C13H17N5O — CID 56780775

IUPAC3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(C2CN(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C13H17N5O/c1-9-4-14-18(5-9)11-6-17(7-11)8-12-15-13(16-19-12)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyWRDONIBYORRRJD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.51
Rot. Bonds4

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

3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780775) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780775
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(C2CN(Cc3nc(C4CC4)no3)C2)c1
InChIInChI=1S/C13H17N5O/c1-9-4-14-18(5-9)11-6-17(7-11)8-12-15-13(16-19-12)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3
InChIKeyWRDONIBYORRRJD-UHFFFAOYSA-N
XLogP1.51
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16188439
4-[[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53562867
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-methylpyrazol-4-yl)methyl]piperidin-3-amine
CID 53564386
4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565426
4-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565860
4-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53566159
3-Propyl-5-[1-(3-pyrazol-1-ylazetidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 53592816
5-Ethyl-3-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 53597774
5-Cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53598745
3-Cyclopropyl-5-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53601435
3-(2-Methoxyethyl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53610019
3-Tert-butyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53613097

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780775) is 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(C2CN(Cc3nc(C4CC4)no3)C2)c1.
What is the InChIKey of 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is WRDONIBYORRRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-4-14-18(5-9)11-6-17(7-11)8-12-15-13(16-19-12)10-2-3-10/h4-5,10-11H,2-3,6-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).