2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine

C14H17N3O — CID 60795730

IUPAC2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCc1nc(C2(N)CCc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)8-7-10-5-3-4-6-11(10)9-14/h3-6H,2,7-9,15H2,1H3
InChIKeyNUNFYKVUTQDOKX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.97
Rot. Bonds2

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

2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 60795730) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID60795730
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESCCc1nc(C2(N)CCc3ccccc3C2)no1
InChIInChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)8-7-10-5-3-4-6-11(10)9-14/h3-6H,2,7-9,15H2,1H3
InChIKeyNUNFYKVUTQDOKX-UHFFFAOYSA-N
XLogP1.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(5-propyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632239
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-phenylpiperidin-4-amine
CID 106820750
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(2-methyl-3,4-dihydro-1H-naphthalen-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864711
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,5-dimethylcyclohexan-1-amine
CID 64735743
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
6-bromo-2-(5-methyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63632062
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 43559385
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 114079407
1-[5-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864592
1-phenyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-amine
CID 106820751
1-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 79212212

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine (CID 60795730) is 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is CCc1nc(C2(N)CCc3ccccc3C2)no1.
What is the InChIKey of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is NUNFYKVUTQDOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-12-16-13(17-18-12)14(15)8-7-10-5-3-4-6-11(10)9-14/h3-6H,2,7-9,15H2,1H3.
What are the key properties of 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,2,4-oxadiazol-3-yl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 60795730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).