3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

C11H18N2O3 — CID 167919502

IUPAC3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1Cc1ccon1
InChIInChI=1S/C11H18N2O3/c1-14-8-10-5-11(15-2)7-13(10)6-9-3-4-16-12-9/h3-4,10-11H,5-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyJJANVNFKJVKVKF-WDEREUQCSA-N
MW226.28 g/mol
LogP0.91
Rot. Bonds5

About 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole

3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (PubChem CID 167919502) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
PubChem CID167919502
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
SMILESCOC[C@@H]1C[C@@H](OC)CN1Cc1ccon1
InChIInChI=1S/C11H18N2O3/c1-14-8-10-5-11(15-2)7-13(10)6-9-3-4-16-12-9/h3-4,10-11H,5-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyJJANVNFKJVKVKF-WDEREUQCSA-N
XLogP0.91
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-4-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazole
CID 128980052
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 128982309
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
CID 128981046
2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 154745361
[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]methanone
CID 128984637
5-fluoro-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 128982340
2-[2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 128982302
4-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-methoxyphenyl)-1H-pyrazole
CID 128978591
5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 128982322
4-[4-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 154807275
[(2S,4R)-4-methoxy-1-[(1-phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 128979855
(2S,4R)-1-benzyl-2-(fluoromethyl)-4-methoxypyrrolidine
CID 135010272

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole (CID 167919502) is 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is COC[C@@H]1C[C@@H](OC)CN1Cc1ccon1.
What is the InChIKey of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is JJANVNFKJVKVKF-WDEREUQCSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-14-8-10-5-11(15-2)7-13(10)6-9-3-4-16-12-9/h3-4,10-11H,5-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole?
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 226.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 167919502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).