3-[(E)-2-phenylethenyl]-1,2-oxazole

C11H9NO — CID 21476803

IUPAC3-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESC(=C/c1ccon1)\c1ccccc1
InChIInChI=1S/C11H9NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H/b7-6+
InChIKeyMJIBTWKMDCABBO-VOTSOKGWSA-N
MW171.20 g/mol
LogP2.85
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]-1,2-oxazole

3-[(E)-2-phenylethenyl]-1,2-oxazole (PubChem CID 21476803) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]-1,2-oxazole
PubChem CID21476803
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name3-[(E)-2-phenylethenyl]-1,2-oxazole
SMILESC(=C/c1ccon1)\c1ccccc1
InChIInChI=1S/C11H9NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H/b7-6+
InChIKeyMJIBTWKMDCABBO-VOTSOKGWSA-N
XLogP2.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]-1,2-oxazole?
The IUPAC name of 3-[(E)-2-phenylethenyl]-1,2-oxazole (CID 21476803) is 3-[(E)-2-phenylethenyl]-1,2-oxazole.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]-1,2-oxazole?
The canonical SMILES for 3-[(E)-2-phenylethenyl]-1,2-oxazole is C(=C/c1ccon1)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]-1,2-oxazole?
The InChIKey is MJIBTWKMDCABBO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-4-10(5-3-1)6-7-11-8-9-13-12-11/h1-9H/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]-1,2-oxazole?
3-[(E)-2-phenylethenyl]-1,2-oxazole has a molecular weight of 171.20 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]-1,2-oxazole is sourced from PubChem (CID 21476803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).