2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol

C8H13N3O2 — CID 104826971

IUPAC2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESC=CCNCc1nc(CCO)no1
InChIInChI=1S/C8H13N3O2/c1-2-4-9-6-8-10-7(3-5-12)11-13-8/h2,9,12H,1,3-6H2
InChIKeyWTUPRNUBHJEBMU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.12
Rot. Bonds6

About 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol

2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104826971) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104826971
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESC=CCNCc1nc(CCO)no1
InChIInChI=1S/C8H13N3O2/c1-2-4-9-6-8-10-7(3-5-12)11-13-8/h2,9,12H,1,3-6H2
InChIKeyWTUPRNUBHJEBMU-UHFFFAOYSA-N
XLogP-0.12
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 104826971) is 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol is C=CCNCc1nc(CCO)no1.
What is the InChIKey of 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is WTUPRNUBHJEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-4-9-6-8-10-7(3-5-12)11-13-8/h2,9,12H,1,3-6H2.
What are the key properties of 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 183.21 g/mol, XLogP of -0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104826971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).