3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol

C6H13N3O2 — CID 123141190

IUPAC3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol
SMILESCCCN(C)C1=NC(O)ON1
InChIInChI=1S/C6H13N3O2/c1-3-4-9(2)5-7-6(10)11-8-5/h6,10H,3-4H2,1-2H3,(H,7,8)
InChIKeyCJOALXAZNUGTBX-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.51
Rot. Bonds2

About 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol

3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol (PubChem CID 123141190) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol.

Molecular Properties

Compound Name3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol
PubChem CID123141190
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol
SMILESCCCN(C)C1=NC(O)ON1
InChIInChI=1S/C6H13N3O2/c1-3-4-9(2)5-7-6(10)11-8-5/h6,10H,3-4H2,1-2H3,(H,7,8)
InChIKeyCJOALXAZNUGTBX-UHFFFAOYSA-N
XLogP-0.51
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol?
The IUPAC name of 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol (CID 123141190) is 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol.
What is the SMILES notation for 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol?
The canonical SMILES for 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol is CCCN(C)C1=NC(O)ON1.
What is the InChIKey of 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol?
The InChIKey is CJOALXAZNUGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-4-9(2)5-7-6(10)11-8-5/h6,10H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol?
3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol has a molecular weight of 159.19 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]-2,5-dihydro-1,2,4-oxadiazol-5-ol is sourced from PubChem (CID 123141190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).