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

C14H19N3O2 — CID 82740956

IUPAC1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2ncccc2CC)no1
InChIInChI=1S/C14H19N3O2/c1-3-6-11(18)9-12-16-14(17-19-12)13-10(4-2)7-5-8-15-13/h5,7-8,11,18H,3-4,6,9H2,1-2H3
InChIKeyILWJDRUQMHQINY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.40
Rot. Bonds6

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

1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 82740956) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID82740956
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCCC(O)Cc1nc(-c2ncccc2CC)no1
InChIInChI=1S/C14H19N3O2/c1-3-6-11(18)9-12-16-14(17-19-12)13-10(4-2)7-5-8-15-13/h5,7-8,11,18H,3-4,6,9H2,1-2H3
InChIKeyILWJDRUQMHQINY-UHFFFAOYSA-N
XLogP2.40
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol with MolForge

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Related Compounds

5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
1-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 79718714
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
6-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 82736599
1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63344995
5-[chloro(phenyl)methyl]-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82731808
3-methyl-1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349824
5-(azetidin-3-ylmethyl)-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82736501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 82740956) is 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCCC(O)Cc1nc(-c2ncccc2CC)no1.
What is the InChIKey of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is ILWJDRUQMHQINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-6-11(18)9-12-16-14(17-19-12)13-10(4-2)7-5-8-15-13/h5,7-8,11,18H,3-4,6,9H2,1-2H3.
What are the key properties of 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 261.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 82740956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).