1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine

C14H19N3O2 — CID 61375320

IUPAC1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cc2noc(C(N)C(C)C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-9(2)13(15)14-16-12(17-19-14)8-10-4-6-11(18-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3
InChIKeyUSIMPLWOIGQBBA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.32
Rot. Bonds5

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

1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (PubChem CID 61375320) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
PubChem CID61375320
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
SMILESCOc1ccc(Cc2noc(C(N)C(C)C)n2)cc1
InChIInChI=1S/C14H19N3O2/c1-9(2)13(15)14-16-12(17-19-14)8-10-4-6-11(18-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3
InChIKeyUSIMPLWOIGQBBA-UHFFFAOYSA-N
XLogP2.32
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine (CID 61375320) is 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is COc1ccc(Cc2noc(C(N)C(C)C)n2)cc1.
What is the InChIKey of 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
The InChIKey is USIMPLWOIGQBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)13(15)14-16-12(17-19-14)8-10-4-6-11(18-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3.
What are the key properties of 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine?
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine has a molecular weight of 261.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 61375320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).