6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine

C13H14BrN3O — CID 63632062

IUPAC6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1nc(C2(N)CCc3cc(Br)ccc3C2)no1
InChIInChI=1S/C13H14BrN3O/c1-8-16-12(17-18-8)13(15)5-4-9-6-11(14)3-2-10(9)7-13/h2-3,6H,4-5,7,15H2,1H3
InChIKeyFINQZUFEDHCVNL-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.48
Rot. Bonds1

About 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine

6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63632062) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63632062
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCc1nc(C2(N)CCc3cc(Br)ccc3C2)no1
InChIInChI=1S/C13H14BrN3O/c1-8-16-12(17-18-8)13(15)5-4-9-6-11(14)3-2-10(9)7-13/h2-3,6H,4-5,7,15H2,1H3
InChIKeyFINQZUFEDHCVNL-UHFFFAOYSA-N
XLogP2.48
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63632062) is 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is Cc1nc(C2(N)CCc3cc(Br)ccc3C2)no1.
What is the InChIKey of 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is FINQZUFEDHCVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-16-12(17-18-8)13(15)5-4-9-6-11(14)3-2-10(9)7-13/h2-3,6H,4-5,7,15H2,1H3.
What are the key properties of 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 308.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63632062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).