2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

C14H18ClN3O3 — CID 104636845

IUPAC2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3O3/c1-3-19-9-14(2,16)13-17-12(21-18-13)8-20-11-6-4-5-10(15)7-11/h4-7H,3,8-9,16H2,1-2H3
InChIKeyINIJCWPAVQVLLU-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.51
Rot. Bonds7

About 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine

2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (PubChem CID 104636845) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
PubChem CID104636845
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)(N)c1noc(COc2cccc(Cl)c2)n1
InChIInChI=1S/C14H18ClN3O3/c1-3-19-9-14(2,16)13-17-12(21-18-13)8-20-11-6-4-5-10(15)7-11/h4-7H,3,8-9,16H2,1-2H3
InChIKeyINIJCWPAVQVLLU-UHFFFAOYSA-N
XLogP2.51
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636885
1-ethoxy-2-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 113435681
2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636637
2-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636799
1-ethoxy-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636628
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637393
5-[(3-chlorophenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6461755
1-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62229473
2-[(3-chlorophenoxy)methyl]-1,3-benzoxazol-4-amine
CID 79998838
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
1-ethoxy-2-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636821
2-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62228931

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The IUPAC name of 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine (CID 104636845) is 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine.
What is the SMILES notation for 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The canonical SMILES for 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is CCOCC(C)(N)c1noc(COc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
The InChIKey is INIJCWPAVQVLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-3-19-9-14(2,16)13-17-12(21-18-13)8-20-11-6-4-5-10(15)7-11/h4-7H,3,8-9,16H2,1-2H3.
What are the key properties of 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine?
2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine has a molecular weight of 311.77 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 104636845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).