1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid

C17H20N2O4 — CID 119907230

IUPAC1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2cnc(CN3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)15-10-18-16(23-15)11-19-8-6-13(7-9-19)17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21)
InChIKeyDZKYBHDWZOMMRM-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.65
Rot. Bonds5

About 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid

1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 119907230) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID119907230
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCOc1ccc(-c2cnc(CN3CCC(C(=O)O)CC3)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)15-10-18-16(23-15)11-19-8-6-13(7-9-19)17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21)
InChIKeyDZKYBHDWZOMMRM-UHFFFAOYSA-N
XLogP2.65
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 48632204
(3S)-1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]pyrrolidin-3-ol
CID 111123250
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
N-cyclopropyl-2-[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 48631825
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63030493
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidin-3-ol
CID 48631711
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119906619
1-[[5-(3-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907505
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole
CID 48631704
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542755
1-[[5-(2-bromophenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907746
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid (CID 119907230) is 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid is COc1ccc(-c2cnc(CN3CCC(C(=O)O)CC3)o2)cc1.
What is the InChIKey of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is DZKYBHDWZOMMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-14-4-2-12(3-5-14)15-10-18-16(23-15)11-19-8-6-13(7-9-19)17(20)21/h2-5,10,13H,6-9,11H2,1H3,(H,20,21).
What are the key properties of 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid?
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).