5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole

C13H22N2O3 — CID 164642839

IUPAC5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCOCc1cc(CN2CCC[C@](C)(OC)C2)no1
InChIInChI=1S/C13H22N2O3/c1-13(17-3)5-4-6-15(10-13)8-11-7-12(9-16-2)18-14-11/h7H,4-6,8-10H2,1-3H3/t13-/m0/s1
InChIKeyNWWFQGYGCOVRKW-ZDUSSCGKSA-N
MW254.33 g/mol
LogP1.82
Rot. Bonds5

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

5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 164642839) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole
PubChem CID164642839
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole
SMILESCOCc1cc(CN2CCC[C@](C)(OC)C2)no1
InChIInChI=1S/C13H22N2O3/c1-13(17-3)5-4-6-15(10-13)8-11-7-12(9-16-2)18-14-11/h7H,4-6,8-10H2,1-3H3/t13-/m0/s1
InChIKeyNWWFQGYGCOVRKW-ZDUSSCGKSA-N
XLogP1.82
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole (CID 164642839) is 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole is COCc1cc(CN2CCC[C@](C)(OC)C2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is NWWFQGYGCOVRKW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(17-3)5-4-6-15(10-13)8-11-7-12(9-16-2)18-14-11/h7H,4-6,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole?
5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 254.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[[(3S)-3-methoxy-3-methylpiperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 164642839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).