2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine

C13H12F3N3O — CID 60795732

IUPAC2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCc2ccccc2C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7,17H2
InChIKeyAOLNAVWQVXITNL-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.43
Rot. Bonds1

About 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine

2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 60795732) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID60795732
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(c2noc(C(F)(F)F)n2)CCc2ccccc2C1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7,17H2
InChIKeyAOLNAVWQVXITNL-UHFFFAOYSA-N
XLogP2.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2,4-Bis(trifluoromethyl)phenyl]methyl]-5-methyl-1,2,4-oxadiazole
CID 58824772
N-methoxy-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 139399252
N-methoxy-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]propan-2-amine
CID 155468038
3-(5,6,7,8-Tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155763838
N-methoxy-2-methylpropan-2-amine;3-(5,6,7,8-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 159023688
5-Methyl-3-[2-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,2,4-oxadiazole
CID 173851337
[3-[[4-(Trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 10539054
2-[3-[[4-(Trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 10803040
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 31164321
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 36228361
(5-Methyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 43559319
1-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroinden-1-amine
CID 43559939

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine (CID 60795732) is 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine is NC1(c2noc(C(F)(F)F)n2)CCc2ccccc2C1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is AOLNAVWQVXITNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)11-18-10(19-20-11)12(17)6-5-8-3-1-2-4-9(8)7-12/h1-4H,5-7,17H2.
What are the key properties of 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 283.25 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 60795732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).