1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol

C13H15Cl2N3O3 — CID 106398329

IUPAC1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COc2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C13H15Cl2N3O3/c1-8-17-13(18-21-8)6-16-5-10(19)7-20-12-4-9(14)2-3-11(12)15/h2-4,10,16,19H,5-7H2,1H3
InChIKeyDOFGLZANAIGUAX-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.21
Rot. Bonds7

About 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol

1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol (PubChem CID 106398329) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
PubChem CID106398329
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
SMILESCc1nc(CNCC(O)COc2cc(Cl)ccc2Cl)no1
InChIInChI=1S/C13H15Cl2N3O3/c1-8-17-13(18-21-8)6-16-5-10(19)7-20-12-4-9(14)2-3-11(12)15/h2-4,10,16,19H,5-7H2,1H3
InChIKeyDOFGLZANAIGUAX-UHFFFAOYSA-N
XLogP2.21
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol with MolForge

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Related Compounds

1-(2,5-dichlorophenoxy)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014593
1-[(4-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398482
1-(2,5-dichlorophenoxy)-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633675
1-[(2-chlorophenyl)methoxy]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol
CID 106398326
methyl 2-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60649077
1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 3542105
(2S)-1-(2,5-dichlorophenoxy)-3-(prop-2-enylamino)propan-2-ol
CID 2114447
(2S)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,2-diol
CID 106398321
1-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678
3-[[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]methyl]pentan-3-ol
CID 65111839
1-(2,4-dichlorophenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61043126
1-(2-chlorophenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethanol
CID 106398104

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol (CID 106398329) is 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol is Cc1nc(CNCC(O)COc2cc(Cl)ccc2Cl)no1.
What is the InChIKey of 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?
The InChIKey is DOFGLZANAIGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c1-8-17-13(18-21-8)6-16-5-10(19)7-20-12-4-9(14)2-3-11(12)15/h2-4,10,16,19H,5-7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol?
1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol has a molecular weight of 332.19 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenoxy)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106398329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).