3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine

C12H12N2O — CID 11321586

IUPAC3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine
SMILESCc1noc(/C=C/c2ccccc2)c1N
InChIInChI=1S/C12H12N2O/c1-9-12(13)11(15-14-9)8-7-10-5-3-2-4-6-10/h2-8H,13H2,1H3/b8-7+
InChIKeyAYACQMBOAGPRAP-BQYQJAHWSA-N
MW200.24 g/mol
LogP2.74
Rot. Bonds2

About 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine

3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine (PubChem CID 11321586) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine
PubChem CID11321586
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine
SMILESCc1noc(/C=C/c2ccccc2)c1N
InChIInChI=1S/C12H12N2O/c1-9-12(13)11(15-14-9)8-7-10-5-3-2-4-6-10/h2-8H,13H2,1H3/b8-7+
InChIKeyAYACQMBOAGPRAP-BQYQJAHWSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine?
The IUPAC name of 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine (CID 11321586) is 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine.
What is the SMILES notation for 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine?
The canonical SMILES for 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine is Cc1noc(/C=C/c2ccccc2)c1N.
What is the InChIKey of 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine?
The InChIKey is AYACQMBOAGPRAP-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-12(13)11(15-14-9)8-7-10-5-3-2-4-6-10/h2-8H,13H2,1H3/b8-7+.
What are the key properties of 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine?
3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine has a molecular weight of 200.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(E)-2-phenylethenyl]-1,2-oxazol-4-amine is sourced from PubChem (CID 11321586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).