1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol

C9H16N2O2 — CID 102660564

IUPAC1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCC(C)Cc1nc(C(C)O)no1
InChIInChI=1S/C9H16N2O2/c1-4-6(2)5-8-10-9(7(3)12)11-13-8/h6-7,12H,4-5H2,1-3H3
InChIKeyRHNGBQTZXVPWQY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.71
Rot. Bonds4

About 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660564) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660564
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCC(C)Cc1nc(C(C)O)no1
InChIInChI=1S/C9H16N2O2/c1-4-6(2)5-8-10-9(7(3)12)11-13-8/h6-7,12H,4-5H2,1-3H3
InChIKeyRHNGBQTZXVPWQY-UHFFFAOYSA-N
XLogP1.71
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660564) is 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is CCC(C)Cc1nc(C(C)O)no1.
What is the InChIKey of 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is RHNGBQTZXVPWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-6(2)5-8-10-9(7(3)12)11-13-8/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 184.24 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).