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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Related Compounds

5-[(E)-2-[3-chloro-4-[(2-methylphenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685401
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
2-methyl-4-[(E)-2-(2-methylphenyl)ethenyl]aniline
CID 137498181
3-[2-(2-methylphenyl)ethenyl]aniline
CID 86115385
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
dimethyl-[(E)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 135061713
dimethyl-[(Z)-2-(2-methylphenyl)ethenyl]-phenylsilane
CID 11528952
[5-[(E)-2-(2-fluorophenyl)ethenyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754780
1-[(E)-2-(2-methylphenyl)ethenyl]cyclopropan-1-amine
CID 105435585
5,11,13,15-tetrakis[(E)-2-(2-methylphenyl)ethenyl]tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 10604517
2-[4-[4-methyl-5-[2-(2-methylphenyl)ethenyl]-2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 59951420

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).