1-(1,2,4-oxadiazol-3-yl)propan-1-ol

C5H8N2O2 — CID 103096089

IUPAC1-(1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESCCC(O)c1ncon1
InChIInChI=1S/C5H8N2O2/c1-2-4(8)5-6-3-9-7-5/h3-4,8H,2H2,1H3
InChIKeyIYHPGNHSTMXAIM-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.51
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-yl)propan-1-ol

1-(1,2,4-oxadiazol-3-yl)propan-1-ol (PubChem CID 103096089) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)propan-1-ol
PubChem CID103096089
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name1-(1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESCCC(O)c1ncon1
InChIInChI=1S/C5H8N2O2/c1-2-4(8)5-6-3-9-7-5/h3-4,8H,2H2,1H3
InChIKeyIYHPGNHSTMXAIM-UHFFFAOYSA-N
XLogP0.51
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2,4-oxadiazol-3-yl)butan-1-amine
CID 93243184
3-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 59539680
N',N'-dimethyl-1-(1,2,4-oxadiazol-3-yl)ethane-1,2-diamine
CID 104635266
(1S)-1-(oxiren-2-yl)propan-1-ol
CID 70404951
2-methyl-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 130831803
3-(1-phenylethyl)-1,2,4-oxadiazole
CID 23057450
1-(5-methoxy-1,2,4-oxadiazol-3-yl)propan-1-ol
CID 103096440
3-(5-methylhept-2-en-2-yl)-1,2,4-oxadiazole
CID 123399946
1-[4-(1,2-oxazol-3-ylmethoxy)phenyl]propan-1-ol
CID 111448152
1-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096272
1-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096203
1,2,4-oxadiazol-3-yl-(3,4,5-trimethoxyphenyl)methanamine
CID 43559200

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)propan-1-ol?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)propan-1-ol (CID 103096089) is 1-(1,2,4-oxadiazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)propan-1-ol is CCC(O)c1ncon1.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)propan-1-ol?
The InChIKey is IYHPGNHSTMXAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-4(8)5-6-3-9-7-5/h3-4,8H,2H2,1H3.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)propan-1-ol?
1-(1,2,4-oxadiazol-3-yl)propan-1-ol has a molecular weight of 128.13 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)propan-1-ol is sourced from PubChem (CID 103096089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).