5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine

C11H11N3O — CID 35754682

IUPAC5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1/C=C/c1nnc(N)o1
InChIInChI=1S/C11H11N3O/c1-8-4-2-3-5-9(8)6-7-10-13-14-11(12)15-10/h2-7H,1H3,(H2,12,14)/b7-6+
InChIKeyNOHDSCWREQBSRQ-VOTSOKGWSA-N
MW201.23 g/mol
LogP2.13
Rot. Bonds2

About 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine

5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 35754682) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine
PubChem CID35754682
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1/C=C/c1nnc(N)o1
InChIInChI=1S/C11H11N3O/c1-8-4-2-3-5-9(8)6-7-10-13-14-11(12)15-10/h2-7H,1H3,(H2,12,14)/b7-6+
InChIKeyNOHDSCWREQBSRQ-VOTSOKGWSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine (CID 35754682) is 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1/C=C/c1nnc(N)o1.
What is the InChIKey of 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is NOHDSCWREQBSRQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-4-2-3-5-9(8)6-7-10-13-14-11(12)15-10/h2-7H,1H3,(H2,12,14)/b7-6+.
What are the key properties of 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine?
5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 201.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methylphenyl)ethenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 35754682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).