N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

C16H21N3O — CID 18933164

IUPACN,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCN(CC)C1CCc2cccc(-c3nnco3)c2C1
InChIInChI=1S/C16H21N3O/c1-3-19(4-2)13-9-8-12-6-5-7-14(15(12)10-13)16-18-17-11-20-16/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyDDIAWKRQPXNRQG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds4

About N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine

N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 18933164) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID18933164
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCN(CC)C1CCc2cccc(-c3nnco3)c2C1
InChIInChI=1S/C16H21N3O/c1-3-19(4-2)13-9-8-12-6-5-7-14(15(12)10-13)16-18-17-11-20-16/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyDDIAWKRQPXNRQG-UHFFFAOYSA-N
XLogP2.94
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Naphthalen-1-YL)-1,3,4-oxadiazole
CID 21909431
2-[5-[(4-Tert-butylpiperazin-1-yl)methyl]-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 160908687
N-[1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
CID 75450137
N-[(1S)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
CID 97261440
N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-3-(1,3,4-oxadiazol-2-yl)benzamide
CID 97261441
1-[4-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylmethanamine
CID 20679145
2-(2-Methyl-5-phenylphenyl)-1,3,4-oxadiazole
CID 57134345
2-[(1R,9R,13S)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl]-1,3,4-oxadiazole
CID 58123940
tert-butyl (1R,9R,13S)-1,13-dimethyl-4-(1,3,4-oxadiazol-2-yl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carboxylate
CID 58123957
2-(3-Benzyl-4-methylphenyl)-1,3,4-oxadiazole
CID 58508616
2-(5-Tert-butyl-2-phenylphenyl)-1,3,4-oxadiazole
CID 68937755
N,N-dimethyl-1-[6-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 70038767

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 18933164) is N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is CCN(CC)C1CCc2cccc(-c3nnco3)c2C1.
What is the InChIKey of N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is DDIAWKRQPXNRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-19(4-2)13-9-8-12-6-5-7-14(15(12)10-13)16-18-17-11-20-16/h5-7,11,13H,3-4,8-10H2,1-2H3.
What are the key properties of N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-(1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18933164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).