[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

C22H20N2O2 — CID 24809861

IUPAC[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESC=Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-16-8-10-18(11-9-16)21-20(14-23-26-21)22(25)24-13-12-19(15-24)17-6-4-3-5-7-17/h2-11,14,19H,1,12-13,15H2
InChIKeyAOQKMZDOMXZNCC-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.61
Rot. Bonds4

About [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 24809861) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID24809861
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
SMILESC=Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C22H20N2O2/c1-2-16-8-10-18(11-9-16)21-20(14-23-26-21)22(25)24-13-12-19(15-24)17-6-4-3-5-7-17/h2-11,14,19H,1,12-13,15H2
InChIKeyAOQKMZDOMXZNCC-UHFFFAOYSA-N
XLogP4.61
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 24809861) is [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is C=Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is AOQKMZDOMXZNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-16-8-10-18(11-9-16)21-20(14-23-26-21)22(25)24-13-12-19(15-24)17-6-4-3-5-7-17/h2-11,14,19H,1,12-13,15H2.
What are the key properties of [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 344.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 24809861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).