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

C18H22N2O5 — CID 42361769

IUPAC[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(CO)CC3)no2)c1
InChIInChI=1S/C18H22N2O5/c1-23-14-3-2-4-15(9-14)24-12-16-10-17(19-25-16)18(22)20-7-5-13(11-21)6-8-20/h2-4,9-10,13,21H,5-8,11-12H2,1H3
InChIKeyQYYIGOKBRFVIDL-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.11
Rot. Bonds6

About [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 42361769) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID42361769
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(CO)CC3)no2)c1
InChIInChI=1S/C18H22N2O5/c1-23-14-3-2-4-15(9-14)24-12-16-10-17(19-25-16)18(22)20-7-5-13(11-21)6-8-20/h2-4,9-10,13,21H,5-8,11-12H2,1H3
InChIKeyQYYIGOKBRFVIDL-UHFFFAOYSA-N
XLogP2.11
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone with MolForge

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Related Compounds

(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 56852001
(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 28957767
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26327679
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 56760301
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152
[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 24790866
azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 42361769) is [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is COc1cccc(OCc2cc(C(=O)N3CCC(CO)CC3)no2)c1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is QYYIGOKBRFVIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-23-14-3-2-4-15(9-14)24-12-16-10-17(19-25-16)18(22)20-7-5-13(11-21)6-8-20/h2-4,9-10,13,21H,5-8,11-12H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 42361769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).