N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C15H16FN3OS — CID 81105824

IUPACN-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C15H16FN3OS/c1-2-6-17-7-5-14-18-19-15(20-14)13-8-10-3-4-11(16)9-12(10)21-13/h3-4,8-9,17H,2,5-7H2,1H3
InChIKeyCIIFNPKWPQDMBR-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.63
Rot. Bonds6

About N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 81105824) has the molecular formula C15H16FN3OS and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID81105824
Molecular FormulaC15H16FN3OS
Molecular Weight305.38 g/mol
Exact Mass305.10
IUPAC NameN-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cc3ccc(F)cc3s2)o1
InChIInChI=1S/C15H16FN3OS/c1-2-6-17-7-5-14-18-19-15(20-14)13-8-10-3-4-11(16)9-12(10)21-13/h3-4,8-9,17H,2,5-7H2,1H3
InChIKeyCIIFNPKWPQDMBR-UHFFFAOYSA-N
XLogP3.63
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.63
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

2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 81104678
N-[2-[5-(4,5-dimethylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 65238569
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
3-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138175
2-[[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]acetic acid
CID 81105481
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
3-[5-(2-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62138540
N-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62139410
N-[2-[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 114909302
N-ethyl-3-(5-thieno[3,2-b]thiophen-5-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 80745146
N-[2-(5-fluoro-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 114732869
N-[2-[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 79807519

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 81105824) is N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(-c2cc3ccc(F)cc3s2)o1.
What is the InChIKey of N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is CIIFNPKWPQDMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3OS/c1-2-6-17-7-5-14-18-19-15(20-14)13-8-10-3-4-11(16)9-12(10)21-13/h3-4,8-9,17H,2,5-7H2,1H3.
What are the key properties of N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 305.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(6-fluoro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 81105824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).