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

C4H6ClN3O — CID 84649192

IUPAC1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(Cl)o1
InChIInChI=1S/C4H6ClN3O/c1-2(6)3-7-8-4(5)9-3/h2H,6H2,1H3
InChIKeyVWXSOAWXYQLOFP-UHFFFAOYSA-N
MW147.56 g/mol
LogP0.74
Rot. Bonds1

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

1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 84649192) has the molecular formula C4H6ClN3O and a molecular weight of 147.56 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID84649192
Molecular FormulaC4H6ClN3O
Molecular Weight147.56 g/mol
Exact Mass147.02
IUPAC Name1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine
SMILESCC(N)c1nnc(Cl)o1
InChIInChI=1S/C4H6ClN3O/c1-2(6)3-7-8-4(5)9-3/h2H,6H2,1H3
InChIKeyVWXSOAWXYQLOFP-UHFFFAOYSA-N
XLogP0.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine (CID 84649192) is 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine is CC(N)c1nnc(Cl)o1.
What is the InChIKey of 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is VWXSOAWXYQLOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3O/c1-2(6)3-7-8-4(5)9-3/h2H,6H2,1H3.
What are the key properties of 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine?
1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 147.56 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 84649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).