5-(5-methoxypentyl)-1,2,4-oxadiazole

C8H14N2O2 — CID 67274675

IUPAC5-(5-methoxypentyl)-1,2,4-oxadiazole
SMILESCOCCCCCc1ncno1
InChIInChI=1S/C8H14N2O2/c1-11-6-4-2-3-5-8-9-7-10-12-8/h7H,2-6H2,1H3
InChIKeyJTHFSEUVRHPPDG-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.43
Rot. Bonds6

About 5-(5-methoxypentyl)-1,2,4-oxadiazole

5-(5-methoxypentyl)-1,2,4-oxadiazole (PubChem CID 67274675) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-(5-methoxypentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methoxypentyl)-1,2,4-oxadiazole
PubChem CID67274675
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name5-(5-methoxypentyl)-1,2,4-oxadiazole
SMILESCOCCCCCc1ncno1
InChIInChI=1S/C8H14N2O2/c1-11-6-4-2-3-5-8-9-7-10-12-8/h7H,2-6H2,1H3
InChIKeyJTHFSEUVRHPPDG-UHFFFAOYSA-N
XLogP1.43
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
1-(3-methoxypropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]thiourea
CID 106395704
N-methyl-3-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82238026
5-ethyl-1,2,4-oxadiazole
CID 19928681
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827
3-methoxy-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106394350
4-(6-methoxyhexyl)-1,3-thiazole
CID 67276018
2-(1,2,4-oxadiazol-5-ylmethoxy)ethanamine
CID 102993732
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
triethyl-[6-(1,2,4-oxadiazol-5-yl)-3-oxohexyl]azanium
CID 167638943
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxypentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methoxypentyl)-1,2,4-oxadiazole (CID 67274675) is 5-(5-methoxypentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methoxypentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methoxypentyl)-1,2,4-oxadiazole is COCCCCCc1ncno1.
What is the InChIKey of 5-(5-methoxypentyl)-1,2,4-oxadiazole?
The InChIKey is JTHFSEUVRHPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-6-4-2-3-5-8-9-7-10-12-8/h7H,2-6H2,1H3.
What are the key properties of 5-(5-methoxypentyl)-1,2,4-oxadiazole?
5-(5-methoxypentyl)-1,2,4-oxadiazole has a molecular weight of 170.21 g/mol, XLogP of 1.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 67274675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).