3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one

C16H18N2O2 — CID 71839862

IUPAC3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1conc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C16H18N2O2/c19-15(18-10-4-5-11-18)9-8-14-12-20-17-16(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyDNRALMLGZVANJH-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.90
Rot. Bonds4

About 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 71839862) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID71839862
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1conc1-c1ccccc1)N1CCCC1
InChIInChI=1S/C16H18N2O2/c19-15(18-10-4-5-11-18)9-8-14-12-20-17-16(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyDNRALMLGZVANJH-UHFFFAOYSA-N
XLogP2.90
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 71839862) is 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1conc1-c1ccccc1)N1CCCC1.
What is the InChIKey of 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is DNRALMLGZVANJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(18-10-4-5-11-18)9-8-14-12-20-17-16(14)13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 71839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).