5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

C15H19N3O2 — CID 91838613

IUPAC5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCOC[C@@H]1CCCN1Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H19N3O2/c1-19-11-13-5-3-7-18(13)10-14-8-15(17-20-14)12-4-2-6-16-9-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyJEZXQAYRUHSQIY-ZDUSSCGKSA-N
MW273.34 g/mol
LogP2.35
Rot. Bonds5

About 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole

5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (PubChem CID 91838613) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
PubChem CID91838613
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
SMILESCOC[C@@H]1CCCN1Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C15H19N3O2/c1-19-11-13-5-3-7-18(13)10-14-8-15(17-20-14)12-4-2-6-16-9-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1
InChIKeyJEZXQAYRUHSQIY-ZDUSSCGKSA-N
XLogP2.35
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The IUPAC name of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole (CID 91838613) is 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole.
What is the SMILES notation for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The canonical SMILES for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is COC[C@@H]1CCCN1Cc1cc(-c2cccnc2)no1.
What is the InChIKey of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
The InChIKey is JEZXQAYRUHSQIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-11-13-5-3-7-18(13)10-14-8-15(17-20-14)12-4-2-6-16-9-12/h2,4,6,8-9,13H,3,5,7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole?
5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole has a molecular weight of 273.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole is sourced from PubChem (CID 91838613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).