N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

C16H22N4O — CID 106961781

IUPACN-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCCCc3ccccc32)o1
InChIInChI=1S/C16H22N4O/c1-3-17-12(2)15-18-19-16(21-15)20-11-7-6-9-13-8-4-5-10-14(13)20/h4-5,8,10,12,17H,3,6-7,9,11H2,1-2H3
InChIKeyOPWFPRWMPUFSFA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.21
Rot. Bonds4

About N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine

N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 106961781) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID106961781
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCCNC(C)c1nnc(N2CCCCc3ccccc32)o1
InChIInChI=1S/C16H22N4O/c1-3-17-12(2)15-18-19-16(21-15)20-11-7-6-9-13-8-4-5-10-14(13)20/h4-5,8,10,12,17H,3,6-7,9,11H2,1-2H3
InChIKeyOPWFPRWMPUFSFA-UHFFFAOYSA-N
XLogP3.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106967087
N-[[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 106961778
N-[[5-(2,3-dihydroindol-1-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 106968181
3-[1-[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 106960724
N-ethyl-1-[1-(5,6,7,8-tetrahydronaphthalen-1-yl)tetrazol-5-yl]ethanamine
CID 103085142
1-[5-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106971050
1-[5-(3,3-dimethylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106963222
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
N-ethyl-6-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)pyrimidin-4-amine
CID 80847372
N-ethyl-1-[5-(3-ethylsulfonylthiomorpholin-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106962750
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
1-[5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 106960588

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine (CID 106961781) is N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is CCNC(C)c1nnc(N2CCCCc3ccccc32)o1.
What is the InChIKey of N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is OPWFPRWMPUFSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-17-12(2)15-18-19-16(21-15)20-11-7-6-9-13-8-4-5-10-14(13)20/h4-5,8,10,12,17H,3,6-7,9,11H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine?
N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 106961781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).