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

C19H26N2O3 — CID 167909389

IUPAC2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
SMILESCOc1ccc(-c2nc(CN3CCCCC3C(C)CO)co2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(12-22)18-5-3-4-10-21(18)11-16-13-24-19(20-16)15-6-8-17(23-2)9-7-15/h6-9,13-14,18,22H,3-5,10-12H2,1-2H3
InChIKeyLCSZNSGQBKHZPD-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.33
Rot. Bonds6

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

2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol (PubChem CID 167909389) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
PubChem CID167909389
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol
SMILESCOc1ccc(-c2nc(CN3CCCCC3C(C)CO)co2)cc1
InChIInChI=1S/C19H26N2O3/c1-14(12-22)18-5-3-4-10-21(18)11-16-13-24-19(20-16)15-6-8-17(23-2)9-7-15/h6-9,13-14,18,22H,3-5,10-12H2,1-2H3
InChIKeyLCSZNSGQBKHZPD-UHFFFAOYSA-N
XLogP3.33
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol (CID 167909389) is 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol is COc1ccc(-c2nc(CN3CCCCC3C(C)CO)co2)cc1.
What is the InChIKey of 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol?
The InChIKey is LCSZNSGQBKHZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(12-22)18-5-3-4-10-21(18)11-16-13-24-19(20-16)15-6-8-17(23-2)9-7-15/h6-9,13-14,18,22H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol?
2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol has a molecular weight of 330.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 167909389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).