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

C21H26N4O3 — CID 26411709

IUPAC4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4nccn4C)CC3)on2)c1
InChIInChI=1S/C21H26N4O3/c1-24-11-8-22-20(24)15-25-9-6-21(26,7-10-25)14-18-13-19(23-28-18)16-4-3-5-17(12-16)27-2/h3-5,8,11-13,26H,6-7,9-10,14-15H2,1-2H3
InChIKeyCEGMYULJUWWFFK-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.65
Rot. Bonds6

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

4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol (PubChem CID 26411709) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
PubChem CID26411709
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol
SMILESCOc1cccc(-c2cc(CC3(O)CCN(Cc4nccn4C)CC3)on2)c1
InChIInChI=1S/C21H26N4O3/c1-24-11-8-22-20(24)15-25-9-6-21(26,7-10-25)14-18-13-19(23-28-18)16-4-3-5-17(12-16)27-2/h3-5,8,11-13,26H,6-7,9-10,14-15H2,1-2H3
InChIKeyCEGMYULJUWWFFK-UHFFFAOYSA-N
XLogP2.65
TPSA76.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol (CID 26411709) is 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol is COc1cccc(-c2cc(CC3(O)CCN(Cc4nccn4C)CC3)on2)c1.
What is the InChIKey of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
The InChIKey is CEGMYULJUWWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-11-8-22-20(24)15-25-9-6-21(26,7-10-25)14-18-13-19(23-28-18)16-4-3-5-17(12-16)27-2/h3-5,8,11-13,26H,6-7,9-10,14-15H2,1-2H3.
What are the key properties of 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol?
4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol has a molecular weight of 382.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 26411709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).