2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol

C9H17N3O2 — CID 106394656

IUPAC2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol
SMILESCC(C)(CO)CNCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-9(2,6-13)5-10-4-3-8-11-7-12-14-8/h7,10,13H,3-6H2,1-2H3
InChIKeyTTYXBRDWHDZQMM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.22
Rot. Bonds6

About 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol

2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol (PubChem CID 106394656) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol
PubChem CID106394656
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol
SMILESCC(C)(CO)CNCCc1ncno1
InChIInChI=1S/C9H17N3O2/c1-9(2,6-13)5-10-4-3-8-11-7-12-14-8/h7,10,13H,3-6H2,1-2H3
InChIKeyTTYXBRDWHDZQMM-UHFFFAOYSA-N
XLogP0.22
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol (CID 106394656) is 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol is CC(C)(CO)CNCCc1ncno1.
What is the InChIKey of 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol?
The InChIKey is TTYXBRDWHDZQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,6-13)5-10-4-3-8-11-7-12-14-8/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol?
2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol has a molecular weight of 199.25 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 106394656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).