[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

C19H24N2O5 — CID 42120570

IUPAC[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1
InChIInChI=1S/C19H24N2O5/c1-23-12-14-5-4-8-21(11-14)19(22)18-10-17(26-20-18)13-25-16-7-3-6-15(9-16)24-2/h3,6-7,9-10,14H,4-5,8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyMBDBVXJUDYQXKE-AWEZNQCLSA-N
MW360.41 g/mol
LogP2.76
Rot. Bonds7

About [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 42120570) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID42120570
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1
InChIInChI=1S/C19H24N2O5/c1-23-12-14-5-4-8-21(11-14)19(22)18-10-17(26-20-18)13-25-16-7-3-6-15(9-16)24-2/h3,6-7,9-10,14H,4-5,8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyMBDBVXJUDYQXKE-AWEZNQCLSA-N
XLogP2.76
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
3-[3-(methoxymethyl)piperidine-1-carbonyl]-1,2-oxazole-5-carboxylic acid
CID 107370092
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45214951
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70741775
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 56852001
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 42120570) is [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is COC[C@H]1CCCN(C(=O)c2cc(COc3cccc(OC)c3)on2)C1.
What is the InChIKey of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is MBDBVXJUDYQXKE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-23-12-14-5-4-8-21(11-14)19(22)18-10-17(26-20-18)13-25-16-7-3-6-15(9-16)24-2/h3,6-7,9-10,14H,4-5,8,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 360.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 42120570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).