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

C10H11N3O — CID 3157458

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H11N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyFDRQQRWVLQQGBK-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.24
Rot. Bonds3

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

2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 3157458) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID3157458
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESNCCc1nc(-c2ccccc2)no1
InChIInChI=1S/C10H11N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyFDRQQRWVLQQGBK-UHFFFAOYSA-N
XLogP1.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 3157458) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is NCCc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is FDRQQRWVLQQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-6-9-12-10(13-14-9)8-4-2-1-3-5-8/h1-5H,6-7,11H2.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 189.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 3157458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).