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

C10H13N3O2S — CID 81124684

IUPAC1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2sccc2OC)o1
InChIInChI=1S/C10H13N3O2S/c1-3-6(11)9-12-13-10(15-9)8-7(14-2)4-5-16-8/h4-6H,3,11H2,1-2H3
InChIKeyHSNUGTUASKEGGN-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.22
Rot. Bonds4

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

1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 81124684) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID81124684
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2sccc2OC)o1
InChIInChI=1S/C10H13N3O2S/c1-3-6(11)9-12-13-10(15-9)8-7(14-2)4-5-16-8/h4-6H,3,11H2,1-2H3
InChIKeyHSNUGTUASKEGGN-UHFFFAOYSA-N
XLogP2.22
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 81124684) is 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(-c2sccc2OC)o1.
What is the InChIKey of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is HSNUGTUASKEGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-3-6(11)9-12-13-10(15-9)8-7(14-2)4-5-16-8/h4-6H,3,11H2,1-2H3.
What are the key properties of 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 239.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 81124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).