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

C15H18BrN3O — CID 63632239

IUPAC6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCc1nc(C2(N)CCc3cc(Br)ccc3C2)no1
InChIInChI=1S/C15H18BrN3O/c1-2-3-13-18-14(19-20-13)15(17)7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8H,2-3,6-7,9,17H2,1H3
InChIKeyZWZUGTVOOJYVLP-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.13
Rot. Bonds3

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

6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63632239) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63632239
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCCc1nc(C2(N)CCc3cc(Br)ccc3C2)no1
InChIInChI=1S/C15H18BrN3O/c1-2-3-13-18-14(19-20-13)15(17)7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8H,2-3,6-7,9,17H2,1H3
InChIKeyZWZUGTVOOJYVLP-UHFFFAOYSA-N
XLogP3.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine
CID 63632583
1-(4-Bromophenyl)-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 105545948
1-[3-[(4-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 43152184
1-[3-[(4-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43470434
4,4-Dimethyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
CID 43559219
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
CID 43559349
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43559435
4,4-Dimethyl-1-(5-propyl-1,2,4-oxadiazol-3-yl)-2,3-dihydronaphthalen-1-amine
CID 43559479
1-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43559559
1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43559677
1-[3-[(3-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43560628
1-[3-[(3-Bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 43560659

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63632239) is 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is CCCc1nc(C2(N)CCc3cc(Br)ccc3C2)no1.
What is the InChIKey of 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is ZWZUGTVOOJYVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-2-3-13-18-14(19-20-13)15(17)7-6-10-8-12(16)5-4-11(10)9-15/h4-5,8H,2-3,6-7,9,17H2,1H3.
What are the key properties of 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63632239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).