4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol

C21H28N2O4 — CID 42565711

IUPAC4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(C4CCOCC4)CC3)on2)c1
InChIInChI=1S/C21H28N2O4/c1-25-18-4-2-3-16(13-18)20-14-19(27-22-20)15-21(24)7-9-23(10-8-21)17-5-11-26-12-6-17/h2-4,13-14,17,24H,5-12,15H2,1H3
InChIKeyODABXRRSQHFFND-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.90
Rot. Bonds5

About 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol

4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol (PubChem CID 42565711) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
PubChem CID42565711
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(C4CCOCC4)CC3)on2)c1
InChIInChI=1S/C21H28N2O4/c1-25-18-4-2-3-16(13-18)20-14-19(27-22-20)15-21(24)7-9-23(10-8-21)17-5-11-26-12-6-17/h2-4,13-14,17,24H,5-12,15H2,1H3
InChIKeyODABXRRSQHFFND-UHFFFAOYSA-N
XLogP2.90
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol with MolForge

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Related Compounds

1-[[5-(hydroxymethyl)furan-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 91828345
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(2R)-2-methylbutyl]piperidin-4-ol
CID 42383406
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 26325119
[4-hydroxy-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56911451
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 26328797
1-[[4-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 28685301
1-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
CID 26326655
1-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 91832505
4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-(3-phenylpropyl)piperidin-4-ol
CID 23724014
1-(5,6-dimethylpyrimidin-4-yl)-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 72883616
5-bromo-3-(3-methoxyphenyl)-1,2-oxazole
CID 84708024
1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-4-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-ol
CID 42454719

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol (CID 42565711) is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol is COc1cccc(-c2cc(CC3(O)CCN(C4CCOCC4)CC3)on2)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol?
The InChIKey is ODABXRRSQHFFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-25-18-4-2-3-16(13-18)20-14-19(27-22-20)15-21(24)7-9-23(10-8-21)17-5-11-26-12-6-17/h2-4,13-14,17,24H,5-12,15H2,1H3.
What are the key properties of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol?
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol has a molecular weight of 372.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 42565711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).