1-(1,2,4-oxadiazol-5-yl)propan-2-amine

C5H9N3O — CID 82234832

IUPAC1-(1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ncno1
InChIInChI=1S/C5H9N3O/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3
InChIKeyBDRIZOSTWITAAP-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.04
Rot. Bonds2

About 1-(1,2,4-oxadiazol-5-yl)propan-2-amine

1-(1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 82234832) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID82234832
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-(1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)Cc1ncno1
InChIInChI=1S/C5H9N3O/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3
InChIKeyBDRIZOSTWITAAP-UHFFFAOYSA-N
XLogP-0.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(1,2,4-oxadiazol-5-yl)propan-2-amine (CID 82234832) is 1-(1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(1,2,4-oxadiazol-5-yl)propan-2-amine is CC(N)Cc1ncno1.
What is the InChIKey of 1-(1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is BDRIZOSTWITAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(6)2-5-7-3-8-9-5/h3-4H,2,6H2,1H3.
What are the key properties of 1-(1,2,4-oxadiazol-5-yl)propan-2-amine?
1-(1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 127.15 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 82234832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).