5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole

C16H20N2O2 — CID 10612248

IUPAC5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole
SMILESc1ccc(Cc2cnc(OCCN3CCCC3)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-6-14(7-3-1)12-15-13-17-16(20-15)19-11-10-18-8-4-5-9-18/h1-3,6-7,13H,4-5,8-12H2
InChIKeyWNDICOXKIDFTDP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds6

About 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole

5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole (PubChem CID 10612248) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole.

Molecular Properties

Compound Name5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole
PubChem CID10612248
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole
SMILESc1ccc(Cc2cnc(OCCN3CCCC3)o2)cc1
InChIInChI=1S/C16H20N2O2/c1-2-6-14(7-3-1)12-15-13-17-16(20-15)19-11-10-18-8-4-5-9-18/h1-3,6-7,13H,4-5,8-12H2
InChIKeyWNDICOXKIDFTDP-UHFFFAOYSA-N
XLogP2.74
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole?
The IUPAC name of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole (CID 10612248) is 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole.
What is the SMILES notation for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole?
The canonical SMILES for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole is c1ccc(Cc2cnc(OCCN3CCCC3)o2)cc1.
What is the InChIKey of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole?
The InChIKey is WNDICOXKIDFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-6-14(7-3-1)12-15-13-17-16(20-15)19-11-10-18-8-4-5-9-18/h1-3,6-7,13H,4-5,8-12H2.
What are the key properties of 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole?
5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole has a molecular weight of 272.35 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2-pyrrolidin-1-ylethoxy)-1,3-oxazole is sourced from PubChem (CID 10612248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).