ethane;3-propyl-1,2,4-oxadiazol-5-amine

C7H15N3O — CID 153346311

IUPACethane;3-propyl-1,2,4-oxadiazol-5-amine
SMILESCC.CCCc1noc(N)n1
InChIInChI=1S/C5H9N3O.C2H6/c1-2-3-4-7-5(6)9-8-4;1-2/h2-3H2,1H3,(H2,6,7,8);1-2H3
InChIKeyZLPNBWUJQVWGPE-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.63
Rot. Bonds2

About ethane;3-propyl-1,2,4-oxadiazol-5-amine

ethane;3-propyl-1,2,4-oxadiazol-5-amine (PubChem CID 153346311) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is ethane;3-propyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Nameethane;3-propyl-1,2,4-oxadiazol-5-amine
PubChem CID153346311
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Nameethane;3-propyl-1,2,4-oxadiazol-5-amine
SMILESCC.CCCc1noc(N)n1
InChIInChI=1S/C5H9N3O.C2H6/c1-2-3-4-7-5(6)9-8-4;1-2/h2-3H2,1H3,(H2,6,7,8);1-2H3
InChIKeyZLPNBWUJQVWGPE-UHFFFAOYSA-N
XLogP1.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;3-propyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of ethane;3-propyl-1,2,4-oxadiazol-5-amine (CID 153346311) is ethane;3-propyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for ethane;3-propyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for ethane;3-propyl-1,2,4-oxadiazol-5-amine is CC.CCCc1noc(N)n1.
What is the InChIKey of ethane;3-propyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ZLPNBWUJQVWGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.C2H6/c1-2-3-4-7-5(6)9-8-4;1-2/h2-3H2,1H3,(H2,6,7,8);1-2H3.
What are the key properties of ethane;3-propyl-1,2,4-oxadiazol-5-amine?
ethane;3-propyl-1,2,4-oxadiazol-5-amine has a molecular weight of 157.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-propyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 153346311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).