3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C11H16N4O2 — CID 154760139

IUPAC3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OC)c1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C11H16N4O2/c1-4-5-9(16-3)10-12-11(17-15-10)8-6-7(2)13-14-8/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyGNNZXGIOXYZUMS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.26
Rot. Bonds5

About 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 154760139) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID154760139
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCCCC(OC)c1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C11H16N4O2/c1-4-5-9(16-3)10-12-11(17-15-10)8-6-7(2)13-14-8/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyGNNZXGIOXYZUMS-UHFFFAOYSA-N
XLogP2.26
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811752
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
CID 94069253
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136983312
2-bromo-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813831
5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 116702712
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
2-amino-5-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenol
CID 116702518
5-chloro-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702480
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 116704839
4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 116702488
2-fluoro-6-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106527271
2-[2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527278

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 154760139) is 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is CCCC(OC)c1noc(-c2cc(C)[nH]n2)n1.
What is the InChIKey of 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is GNNZXGIOXYZUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-5-9(16-3)10-12-11(17-15-10)8-6-7(2)13-14-8/h6,9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 236.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154760139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).