2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole

C11H11NO — CID 54104859

IUPAC2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC(=Cc1ccccc1)C1=NCCO1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2
InChIKeyNDAJRGYVXNVVNP-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.13
Rot. Bonds2

About 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole

2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 54104859) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
PubChem CID54104859
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC(=Cc1ccccc1)C1=NCCO1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2
InChIKeyNDAJRGYVXNVVNP-UHFFFAOYSA-N
XLogP2.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (CID 54104859) is 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is C(=Cc1ccccc1)C1=NCCO1.
What is the InChIKey of 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is NDAJRGYVXNVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2.
What are the key properties of 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 173.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 54104859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).