3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

C14H15N3OS — CID 62136899

IUPAC3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(-c2csc3ccccc23)o1
InChIInChI=1S/C14H15N3OS/c1-15-8-4-7-13-16-17-14(18-13)11-9-19-12-6-3-2-5-10(11)12/h2-3,5-6,9,15H,4,7-8H2,1H3
InChIKeyOJDCJKSURGYDBD-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.10
Rot. Bonds5

About 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine

3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (PubChem CID 62136899) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
PubChem CID62136899
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nnc(-c2csc3ccccc23)o1
InChIInChI=1S/C14H15N3OS/c1-15-8-4-7-13-16-17-14(18-13)11-9-19-12-6-3-2-5-10(11)12/h2-3,5-6,9,15H,4,7-8H2,1H3
InChIKeyOJDCJKSURGYDBD-UHFFFAOYSA-N
XLogP3.10
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
N-methyl-3-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62138338
3-[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139447
3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136730
3-[5-(5-bromo-2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 65309448
3-[5-(4-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039360
N-ethyl-3-(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62137262
N-methyl-3-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62139085
2-[5-[3-(methylamino)propyl]-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155211862
3-[5-(5-chlorofuran-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 106689598

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine (CID 62136899) is 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is CNCCCc1nnc(-c2csc3ccccc23)o1.
What is the InChIKey of 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is OJDCJKSURGYDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-15-8-4-7-13-16-17-14(18-13)11-9-19-12-6-3-2-5-10(11)12/h2-3,5-6,9,15H,4,7-8H2,1H3.
What are the key properties of 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine?
3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 273.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62136899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).