5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole

C15H18N2O3 — CID 71452172

IUPAC5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
SMILESc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1
InChIKeyJUWUZLUBIRHYMM-LBPRGKRZSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds6

About 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole

5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole (PubChem CID 71452172) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
PubChem CID71452172
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
SMILESc1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1
InChIKeyJUWUZLUBIRHYMM-LBPRGKRZSA-N
XLogP2.38
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The IUPAC name of 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole (CID 71452172) is 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole.
What is the SMILES notation for 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The canonical SMILES for 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole is c1ccc(OCc2cc(OC[C@@H]3CCCN3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
The InChIKey is JUWUZLUBIRHYMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12/h1-3,6-7,9,12,16H,4-5,8,10-11H2/t12-/m0/s1.
What are the key properties of 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole?
5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole has a molecular weight of 274.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole is sourced from PubChem (CID 71452172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).