2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole

C12H11NO — CID 141047162

IUPAC2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole
SMILESCc1ccc(C=Cc2ncco2)cc1
InChIInChI=1S/C12H11NO/c1-10-2-4-11(5-3-10)6-7-12-13-8-9-14-12/h2-9H,1H3
InChIKeyZKHHRILXFYQHNX-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.15
Rot. Bonds2

About 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole

2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole (PubChem CID 141047162) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole
PubChem CID141047162
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole
SMILESCc1ccc(C=Cc2ncco2)cc1
InChIInChI=1S/C12H11NO/c1-10-2-4-11(5-3-10)6-7-12-13-8-9-14-12/h2-9H,1H3
InChIKeyZKHHRILXFYQHNX-UHFFFAOYSA-N
XLogP3.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazole
CID 141125841
2-(2-pyridin-3-ylethenyl)-1,3-oxazole
CID 175956031
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
2-[2-(4-methylphenyl)ethenyl]-5-(tribromomethyl)-1,3,4-oxadiazole
CID 54289722
2-[2-(4-methylphenyl)ethenyl]-1H-imidazole
CID 68963797
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carboxamide
CID 142094350
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808900

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole?
The IUPAC name of 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole (CID 141047162) is 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole is Cc1ccc(C=Cc2ncco2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole?
The InChIKey is ZKHHRILXFYQHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-10-2-4-11(5-3-10)6-7-12-13-8-9-14-12/h2-9H,1H3.
What are the key properties of 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole?
2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole has a molecular weight of 185.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethenyl]-1,3-oxazole is sourced from PubChem (CID 141047162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).