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

C12H17N3O2S — CID 81124151

IUPACN-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2sccc2OC)o1
InChIInChI=1S/C12H17N3O2S/c1-3-13-7-4-5-10-14-15-12(17-10)11-9(16-2)6-8-18-11/h6,8,13H,3-5,7H2,1-2H3
InChIKeyOIBMJCRKOVIUKC-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.35
Rot. Bonds7

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

N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 81124151) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID81124151
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCNCCCc1nnc(-c2sccc2OC)o1
InChIInChI=1S/C12H17N3O2S/c1-3-13-7-4-5-10-14-15-12(17-10)11-9(16-2)6-8-18-11/h6,8,13H,3-5,7H2,1-2H3
InChIKeyOIBMJCRKOVIUKC-UHFFFAOYSA-N
XLogP2.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 81124151) is N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCNCCCc1nnc(-c2sccc2OC)o1.
What is the InChIKey of N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is OIBMJCRKOVIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-3-13-7-4-5-10-14-15-12(17-10)11-9(16-2)6-8-18-11/h6,8,13H,3-5,7H2,1-2H3.
What are the key properties of N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 81124151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).