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

C12H14ClN3O — CID 55105696

IUPAC2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-8(7-14)12-15-11(16-17-12)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3
InChIKeyUECCEGRGHYDPJL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.38
Rot. Bonds4

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

2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 55105696) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID55105696
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C12H14ClN3O/c1-8(7-14)12-15-11(16-17-12)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3
InChIKeyUECCEGRGHYDPJL-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 55105696) is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)c1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is UECCEGRGHYDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(7-14)12-15-11(16-17-12)6-9-4-2-3-5-10(9)13/h2-5,8H,6-7,14H2,1H3.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 251.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 55105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).