2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine

C7H13N3O — CID 57466818

IUPAC2-(5-propyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCC1=NN=C(O1)CCN
InChIInChI=1S/C7H13N3O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5,8H2,1H3
InChIKeyBKWCGEDWRKWWIU-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.30
Rot. Bonds4

About 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine

2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 57466818) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(5-propyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID57466818
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-(5-propyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCCCC1=NN=C(O1)CCN
InChIInChI=1S/C7H13N3O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5,8H2,1H3
InChIKeyBKWCGEDWRKWWIU-UHFFFAOYSA-N
XLogP0.30
TPSA64.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62070942
CID 65715040
CID 65715040
CID 65716060
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CID 130605237
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CID 170913375
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CID 24254482
CID 24254482
CID 24254483
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CID 24254484
CID 24254484

Frequently Asked Questions

What is the IUPAC name of 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 57466818) is 2-(5-propyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine is CCCC1=NN=C(O1)CCN.
What is the InChIKey of 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is BKWCGEDWRKWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-3-6-9-10-7(11-6)4-5-8/h2-5,8H2,1H3.
What are the key properties of 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine?
2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-Propyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 57466818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).