3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol

C5H9N3O2 — CID 115079637

IUPAC3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESNc1nc(CCCO)no1
InChIInChI=1S/C5H9N3O2/c6-5-7-4(8-10-5)2-1-3-9/h9H,1-3H2,(H2,6,7,8)
InChIKeyMNTJUGUZZNXATB-UHFFFAOYSA-N
MW143.15 g/mol
LogP-0.42
Rot. Bonds3

About 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol

3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol (PubChem CID 115079637) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
PubChem CID115079637
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol
SMILESNc1nc(CCCO)no1
InChIInChI=1S/C5H9N3O2/c6-5-7-4(8-10-5)2-1-3-9/h9H,1-3H2,(H2,6,7,8)
InChIKeyMNTJUGUZZNXATB-UHFFFAOYSA-N
XLogP-0.42
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol (CID 115079637) is 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol is Nc1nc(CCCO)no1.
What is the InChIKey of 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol?
The InChIKey is MNTJUGUZZNXATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-5-7-4(8-10-5)2-1-3-9/h9H,1-3H2,(H2,6,7,8).
What are the key properties of 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol?
3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol has a molecular weight of 143.15 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1,2,4-oxadiazol-3-yl)propan-1-ol is sourced from PubChem (CID 115079637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).