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

C11H11NO — CID 85437095

IUPAC5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC(=CC1CN=CO1)c1ccccc1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-7,9,11H,8H2
InChIKeyXJEGMTWNHZONAU-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.13
Rot. Bonds2

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

5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 85437095) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
PubChem CID85437095
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole
SMILESC(=CC1CN=CO1)c1ccccc1
InChIInChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-7,9,11H,8H2
InChIKeyXJEGMTWNHZONAU-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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Related Compounds

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
(4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thiol
CID 44394637
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
2-Styryl-4,5-dihydrooxazole
CID 54104859
Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene
CID 66694655
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
CID 66616964
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
(5S)-2-benzylsulfanyl-5-ethenyl-4,5-dihydro-1,3-oxazole
CID 101125906
4-Ethyl-2-styryl-4,5-dihydrooxazole
CID 102025125
5-methylidene-2-[(E)-2-phenylethenyl]-4H-1,3-oxazole
CID 102163817
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine
CID 70686303

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole (CID 85437095) is 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is C(=CC1CN=CO1)c1ccccc1.
What is the InChIKey of 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XJEGMTWNHZONAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-4-10(5-3-1)6-7-11-8-12-9-13-11/h1-7,9,11H,8H2.
What are the key properties of 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole?
5-(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 5-(2-phenylethenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 85437095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).