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

C12H16N4O2 — CID 114007003

IUPAC3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCc1cnccc1-c1noc(C(O)CCN)n1
InChIInChI=1S/C12H16N4O2/c1-2-8-7-14-6-4-9(8)11-15-12(18-16-11)10(17)3-5-13/h4,6-7,10,17H,2-3,5,13H2,1H3
InChIKeyWGBJNPSCPMUNAO-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.08
Rot. Bonds5

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

3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 114007003) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID114007003
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCc1cnccc1-c1noc(C(O)CCN)n1
InChIInChI=1S/C12H16N4O2/c1-2-8-7-14-6-4-9(8)11-15-12(18-16-11)10(17)3-5-13/h4,6-7,10,17H,2-3,5,13H2,1H3
InChIKeyWGBJNPSCPMUNAO-UHFFFAOYSA-N
XLogP1.08
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565519
4-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82689072
3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836843
(1S)-3-amino-1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836841
2-[[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]methylamino]acetamide
CID 107436593
3-amino-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107836623
3-amino-1-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836904
3-amino-1-[3-(1H-imidazol-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 136755756
3-amino-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006924
3-amino-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836732
3-amino-1-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837373
3-amino-1-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837393

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 114007003) is 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CCc1cnccc1-c1noc(C(O)CCN)n1.
What is the InChIKey of 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is WGBJNPSCPMUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-8-7-14-6-4-9(8)11-15-12(18-16-11)10(17)3-5-13/h4,6-7,10,17H,2-3,5,13H2,1H3.
What are the key properties of 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 248.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 114007003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).