3-(1-phenylprop-1-en-2-yl)-1,2-oxazole

C12H11NO — CID 70700456

IUPAC3-(1-phenylprop-1-en-2-yl)-1,2-oxazole
SMILESCC(=Cc1ccccc1)c1ccon1
InChIInChI=1S/C12H11NO/c1-10(12-7-8-14-13-12)9-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUIFUFXPKRWWGRZ-UHFFFAOYSA-N
MW185.23 g/mol
LogP3.24
Rot. Bonds2

About 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole

3-(1-phenylprop-1-en-2-yl)-1,2-oxazole (PubChem CID 70700456) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-phenylprop-1-en-2-yl)-1,2-oxazole
PubChem CID70700456
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name3-(1-phenylprop-1-en-2-yl)-1,2-oxazole
SMILESCC(=Cc1ccccc1)c1ccon1
InChIInChI=1S/C12H11NO/c1-10(12-7-8-14-13-12)9-11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyUIFUFXPKRWWGRZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole?
The IUPAC name of 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole (CID 70700456) is 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole?
The canonical SMILES for 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole is CC(=Cc1ccccc1)c1ccon1.
What is the InChIKey of 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole?
The InChIKey is UIFUFXPKRWWGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-10(12-7-8-14-13-12)9-11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole?
3-(1-phenylprop-1-en-2-yl)-1,2-oxazole has a molecular weight of 185.23 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylprop-1-en-2-yl)-1,2-oxazole is sourced from PubChem (CID 70700456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).