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

C13H15Cl2N3O3 — CID 106401068

IUPAC1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1ncon1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O3/c14-9-1-2-12(11(15)5-9)20-7-10(19)6-16-4-3-13-17-8-21-18-13/h1-2,5,8,10,16,19H,3-4,6-7H2
InChIKeyLWCKYCZJQYQDBK-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.95
Rot. Bonds8

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

1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol (PubChem CID 106401068) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
PubChem CID106401068
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
SMILESOC(CNCCc1ncon1)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O3/c14-9-1-2-12(11(15)5-9)20-7-10(19)6-16-4-3-13-17-8-21-18-13/h1-2,5,8,10,16,19H,3-4,6-7H2
InChIKeyLWCKYCZJQYQDBK-UHFFFAOYSA-N
XLogP1.95
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.95
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-(2,5-dimethylphenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 106400654
1-(2-aminoethylamino)-3-(2,4-dichlorophenoxy)propan-2-ol
CID 62140528
1-(2,4-dichlorophenoxy)-3-[2-(dimethylamino)ethylamino]propan-2-ol
CID 60635084
1-(2,4-dichlorophenoxy)-3-[2-(1-methylimidazol-4-yl)ethylamino]propan-2-ol
CID 167880911
1-(2,4-dichlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635350
1-(2,4-dichlorophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938687
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-(2,4-dichlorophenoxy)-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60632969
1-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-4-methylpentan-2-ol
CID 107152413
1-(2,4-dichlorophenoxy)-3-[(4-fluorophenyl)methylamino]propan-2-ol
CID 168510550
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183418

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol (CID 106401068) is 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol is OC(CNCCc1ncon1)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is LWCKYCZJQYQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c14-9-1-2-12(11(15)5-9)20-7-10(19)6-16-4-3-13-17-8-21-18-13/h1-2,5,8,10,16,19H,3-4,6-7H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol?
1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 332.19 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 106401068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).