[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol

C8H14N2O3 — CID 102660376

IUPAC[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCOC(C)CCc1nc(CO)no1
InChIInChI=1S/C8H14N2O3/c1-6(12-2)3-4-8-9-7(5-11)10-13-8/h6,11H,3-5H2,1-2H3
InChIKeyFBIJNJZSKOZZRR-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.53
Rot. Bonds5

About [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660376) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660376
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESCOC(C)CCc1nc(CO)no1
InChIInChI=1S/C8H14N2O3/c1-6(12-2)3-4-8-9-7(5-11)10-13-8/h6,11H,3-5H2,1-2H3
InChIKeyFBIJNJZSKOZZRR-UHFFFAOYSA-N
XLogP0.53
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660376) is [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol is COC(C)CCc1nc(CO)no1.
What is the InChIKey of [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is FBIJNJZSKOZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(12-2)3-4-8-9-7(5-11)10-13-8/h6,11H,3-5H2,1-2H3.
What are the key properties of [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 186.21 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).