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

C19H24N2O3 — CID 6620480

IUPAC1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)O)CC3)c(C)o2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-14-4-6-15(7-5-14)18-20-17(13(2)24-18)12-21-10-8-16(9-11-21)19(22)23/h4-7,16H,3,8-12H2,1-2H3,(H,22,23)
InChIKeyUJXZFYVVLYBLLR-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.51
Rot. Bonds5

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

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 6620480) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID6620480
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(-c2nc(CN3CCC(C(=O)O)CC3)c(C)o2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-14-4-6-15(7-5-14)18-20-17(13(2)24-18)12-21-10-8-16(9-11-21)19(22)23/h4-7,16H,3,8-12H2,1-2H3,(H,22,23)
InChIKeyUJXZFYVVLYBLLR-UHFFFAOYSA-N
XLogP3.51
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 6619545
2-(4-ethylphenyl)-5-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-oxazole
CID 163516668
N-butyl-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859867
N-(2,6-dimethylphenyl)-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20918051
[1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 122176558
1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 154702878
N-[1-(4-butoxyphenyl)ethyl]-1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20968872
1-[(2-anthracen-9-yl-5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 154702903
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
[1-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51426678
1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,N-diethylpiperidine-4-carboxamide
CID 42095450
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid (CID 6620480) is 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid is CCc1ccc(-c2nc(CN3CCC(C(=O)O)CC3)c(C)o2)cc1.
What is the InChIKey of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is UJXZFYVVLYBLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-14-4-6-15(7-5-14)18-20-17(13(2)24-18)12-21-10-8-16(9-11-21)19(22)23/h4-7,16H,3,8-12H2,1-2H3,(H,22,23).
What are the key properties of 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 6620480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).