2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol

C12H20N2O3 — CID 114799759

IUPAC2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCOCc1cc(CN2CCC(CCO)C2)no1
InChIInChI=1S/C12H20N2O3/c1-16-9-12-6-11(13-17-12)8-14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-9H2,1H3
InChIKeyONTOBXHNNHGLRP-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.03
Rot. Bonds6

About 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol

2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol (PubChem CID 114799759) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
PubChem CID114799759
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
SMILESCOCc1cc(CN2CCC(CCO)C2)no1
InChIInChI=1S/C12H20N2O3/c1-16-9-12-6-11(13-17-12)8-14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-9H2,1H3
InChIKeyONTOBXHNNHGLRP-UHFFFAOYSA-N
XLogP1.03
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol (CID 114799759) is 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol is COCc1cc(CN2CCC(CCO)C2)no1.
What is the InChIKey of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ONTOBXHNNHGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-16-9-12-6-11(13-17-12)8-14-4-2-10(7-14)3-5-15/h6,10,15H,2-5,7-9H2,1H3.
What are the key properties of 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol?
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol has a molecular weight of 240.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).