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

C11H21N3O3 — CID 114183958

IUPAC1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(C)COCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O3/c1-9(2)6-16-7-10(15)5-12-4-3-11-13-8-14-17-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVYCPSKNPAUQSMY-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds9

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

1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 114183958) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
PubChem CID114183958
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(C)COCC(O)CNCCc1ncno1
InChIInChI=1S/C11H21N3O3/c1-9(2)6-16-7-10(15)5-12-4-3-11-13-8-14-17-11/h8-10,12,15H,3-7H2,1-2H3
InChIKeyVYCPSKNPAUQSMY-UHFFFAOYSA-N
XLogP0.24
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
CID 106399669
1-[(4-chlorophenyl)methoxy]-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106400203
1-(4-chloro-3-methylphenoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399572
1-(3-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60633825
1-[(5-bromothiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60744071
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
5-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]pentan-1-ol
CID 107317305
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
1-[2-[2-[2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]ethoxy]ethoxy]ethylamino]-3-propoxypropan-2-ol
CID 146475954
1-(2-methylpropoxy)-3-(3-propoxypropylamino)propan-2-ol
CID 82943587
1-[2-(diethylamino)ethylamino]-3-(2-methylpropoxy)propan-2-ol
CID 60632995

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol (CID 114183958) is 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is CC(C)COCC(O)CNCCc1ncno1.
What is the InChIKey of 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is VYCPSKNPAUQSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-9(2)6-16-7-10(15)5-12-4-3-11-13-8-14-17-11/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol?
1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 243.31 g/mol, XLogP of 0.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 114183958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).