N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C15H23N3OS — CID 62859634

IUPACN-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(CCCc2cccs2)o1
InChIInChI=1S/C15H23N3OS/c1-3-10-16-13(4-2)15-18-17-14(19-15)9-5-7-12-8-6-11-20-12/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyOPCOMCLGDBFISP-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.76
Rot. Bonds9

About N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62859634) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62859634
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCCNC(CC)c1nnc(CCCc2cccs2)o1
InChIInChI=1S/C15H23N3OS/c1-3-10-16-13(4-2)15-18-17-14(19-15)9-5-7-12-8-6-11-20-12/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3
InChIKeyOPCOMCLGDBFISP-UHFFFAOYSA-N
XLogP3.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62859634) is N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCCNC(CC)c1nnc(CCCc2cccs2)o1.
What is the InChIKey of N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is OPCOMCLGDBFISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-10-16-13(4-2)15-18-17-14(19-15)9-5-7-12-8-6-11-20-12/h6,8,11,13,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[5-(3-thiophen-2-ylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62859634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).