5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

C13H18N4O — CID 106966902

IUPAC5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCN(c1nnc(CCN)o1)c1ccccc1C
InChIInChI=1S/C13H18N4O/c1-3-17(11-7-5-4-6-10(11)2)13-16-15-12(18-13)8-9-14/h4-7H,3,8-9,14H2,1-2H3
InChIKeyXFOVUOPWSGHWCH-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.04
Rot. Bonds5

About 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106966902) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106966902
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCCN(c1nnc(CCN)o1)c1ccccc1C
InChIInChI=1S/C13H18N4O/c1-3-17(11-7-5-4-6-10(11)2)13-16-15-12(18-13)8-9-14/h4-7H,3,8-9,14H2,1-2H3
InChIKeyXFOVUOPWSGHWCH-UHFFFAOYSA-N
XLogP2.04
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 106966902) is 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is CCN(c1nnc(CCN)o1)c1ccccc1C.
What is the InChIKey of 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XFOVUOPWSGHWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17(11-7-5-4-6-10(11)2)13-16-15-12(18-13)8-9-14/h4-7H,3,8-9,14H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-ethyl-N-(2-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).