N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C11H15N3O — CID 131863872

IUPACN-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCNCC1=NC(c2ccccc2)NO1
InChIInChI=1S/C11H15N3O/c1-2-12-8-10-13-11(14-15-10)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3
InChIKeyNLJARNATWZDCRE-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.23
Rot. Bonds4

About N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine

N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 131863872) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID131863872
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCNCC1=NC(c2ccccc2)NO1
InChIInChI=1S/C11H15N3O/c1-2-12-8-10-13-11(14-15-10)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3
InChIKeyNLJARNATWZDCRE-UHFFFAOYSA-N
XLogP1.23
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 131863872) is N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCNCC1=NC(c2ccccc2)NO1.
What is the InChIKey of N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is NLJARNATWZDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-12-8-10-13-11(14-15-10)9-6-4-3-5-7-9/h3-7,11-12,14H,2,8H2,1H3.
What are the key properties of N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 205.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 131863872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).