3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C10H18N2O3 — CID 63349235

IUPAC3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(CCOC)no1)C(C)O
InChIInChI=1S/C10H18N2O3/c1-4-8(7(2)13)10-11-9(12-15-10)5-6-14-3/h7-8,13H,4-6H2,1-3H3
InChIKeySVBIJLVNIQFBHD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.13
Rot. Bonds6

About 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63349235) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63349235
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(CCOC)no1)C(C)O
InChIInChI=1S/C10H18N2O3/c1-4-8(7(2)13)10-11-9(12-15-10)5-6-14-3/h7-8,13H,4-6H2,1-3H3
InChIKeySVBIJLVNIQFBHD-UHFFFAOYSA-N
XLogP1.13
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349188
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345080
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346122
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65221941
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346217
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
5-(1-chloroethyl)-3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazole
CID 102926413
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63349235) is 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(CCOC)no1)C(C)O.
What is the InChIKey of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is SVBIJLVNIQFBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-8(7(2)13)10-11-9(12-15-10)5-6-14-3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63349235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).