5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole

C12H13NO2 — CID 11820192

IUPAC5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESC=CC1CC(c2ccccc2OC)=NO1
InChIInChI=1S/C12H13NO2/c1-3-9-8-11(13-15-9)10-6-4-5-7-12(10)14-2/h3-7,9H,1,8H2,2H3
InChIKeyCVKMLNFOJREBDQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.37
Rot. Bonds3

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

5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 11820192) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
PubChem CID11820192
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
SMILESC=CC1CC(c2ccccc2OC)=NO1
InChIInChI=1S/C12H13NO2/c1-3-9-8-11(13-15-9)10-6-4-5-7-12(10)14-2/h3-7,9H,1,8H2,2H3
InChIKeyCVKMLNFOJREBDQ-UHFFFAOYSA-N
XLogP2.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
3-ethyl-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-prop-2-enylurea
CID 42790380
N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-phenyl-N-prop-2-enylbutanamide
CID 42790003
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
CID 92734591
[(5R)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638458
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 40638457
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095720
[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 17095718

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole (CID 11820192) is 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole is C=CC1CC(c2ccccc2OC)=NO1.
What is the InChIKey of 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is CVKMLNFOJREBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-9-8-11(13-15-9)10-6-4-5-7-12(10)14-2/h3-7,9H,1,8H2,2H3.
What are the key properties of 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole?
5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 11820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).