2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C15H20ClN3O2 — CID 104637393

IUPAC2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)20-9-15(3,17)14-18-13(21-19-14)8-11-5-4-6-12(16)7-11/h4-7,10H,8-9,17H2,1-3H3
InChIKeyZOQCKIJWLWMJGV-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.91
Rot. Bonds6

About 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637393) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637393
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C15H20ClN3O2/c1-10(2)20-9-15(3,17)14-18-13(21-19-14)8-11-5-4-6-12(16)7-11/h4-7,10H,8-9,17H2,1-3H3
InChIKeyZOQCKIJWLWMJGV-UHFFFAOYSA-N
XLogP2.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636885
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
2-(5-butyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637288
2-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637405
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636637
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170
2-[5-[(3-chlorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636845
1-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670458
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637159
2-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637389
2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637401

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637393) is 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is ZOQCKIJWLWMJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-10(2)20-9-15(3,17)14-18-13(21-19-14)8-11-5-4-6-12(16)7-11/h4-7,10H,8-9,17H2,1-3H3.
What are the key properties of 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 309.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).