3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole

C11H12N2O — CID 19779722

IUPAC3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1ccc[nH]1
InChIInChI=1S/C11H12N2O/c1-8-11(9(2)14-13-8)6-5-10-4-3-7-12-10/h3-7,12H,1-2H3/b6-5+
InChIKeyIXXVOOJPYTYXGC-AATRIKPKSA-N
MW188.23 g/mol
LogP2.79
Rot. Bonds2

About 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole

3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole (PubChem CID 19779722) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
PubChem CID19779722
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole
SMILESCc1noc(C)c1/C=C/c1ccc[nH]1
InChIInChI=1S/C11H12N2O/c1-8-11(9(2)14-13-8)6-5-10-4-3-7-12-10/h3-7,12H,1-2H3/b6-5+
InChIKeyIXXVOOJPYTYXGC-AATRIKPKSA-N
XLogP2.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole (CID 19779722) is 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole is Cc1noc(C)c1/C=C/c1ccc[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole?
The InChIKey is IXXVOOJPYTYXGC-AATRIKPKSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-11(9(2)14-13-8)6-5-10-4-3-7-12-10/h3-7,12H,1-2H3/b6-5+.
What are the key properties of 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole?
3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole has a molecular weight of 188.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,2-oxazole is sourced from PubChem (CID 19779722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).