N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C15H19N3OS — CID 62343764

IUPACN-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESc1c(-c2nc(CNC3CC3)no2)sc2c1CCCCC2
InChIInChI=1S/C15H19N3OS/c1-2-4-10-8-13(20-12(10)5-3-1)15-17-14(18-19-15)9-16-11-6-7-11/h8,11,16H,1-7,9H2
InChIKeyFUMRXBGMNHQWEA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.32
Rot. Bonds4

About N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 62343764) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID62343764
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESc1c(-c2nc(CNC3CC3)no2)sc2c1CCCCC2
InChIInChI=1S/C15H19N3OS/c1-2-4-10-8-13(20-12(10)5-3-1)15-17-14(18-19-15)9-16-11-6-7-11/h8,11,16H,1-7,9H2
InChIKeyFUMRXBGMNHQWEA-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 81261069
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342741
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326220
[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660476
1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645545
3-[(3S)-oxolan-3-yl]-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazole
CID 97444298
1-[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096145
N-[[5-(2-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 114026356
cyclopropyl-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324445
N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
N-[[5-(2,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 62341595
2-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 61325270

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 62343764) is N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is c1c(-c2nc(CNC3CC3)no2)sc2c1CCCCC2.
What is the InChIKey of N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is FUMRXBGMNHQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-4-10-8-13(20-12(10)5-3-1)15-17-14(18-19-15)9-16-11-6-7-11/h8,11,16H,1-7,9H2.
What are the key properties of N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 289.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62343764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).