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

C13H25N3O2 — CID 63561817

IUPAC2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CCN(CC)CC)no1
InChIInChI=1S/C13H25N3O2/c1-5-11(17)10(4)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyVKDQTCVJICAKLO-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds8

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

2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol (PubChem CID 63561817) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol.

Molecular Properties

Compound Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
PubChem CID63561817
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
SMILESCCC(O)C(C)c1nc(CCN(CC)CC)no1
InChIInChI=1S/C13H25N3O2/c1-5-11(17)10(4)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3
InChIKeyVKDQTCVJICAKLO-UHFFFAOYSA-N
XLogP1.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345228
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345080
2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 79964951
3-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347344
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63562186
2-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 113391743
2-[3-[(2-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 66142750
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63639809
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55220902
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The IUPAC name of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol (CID 63561817) is 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol.
What is the SMILES notation for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The canonical SMILES for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol is CCC(O)C(C)c1nc(CCN(CC)CC)no1.
What is the InChIKey of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
The InChIKey is VKDQTCVJICAKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-11(17)10(4)13-14-12(15-18-13)8-9-16(6-2)7-3/h10-11,17H,5-9H2,1-4H3.
What are the key properties of 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol?
2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol has a molecular weight of 255.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-3-ol is sourced from PubChem (CID 63561817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).