1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid

C17H18Cl2N2O3 — CID 154702878

IUPAC1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1oc(-c2c(Cl)cccc2Cl)nc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C17H18Cl2N2O3/c1-10-14(9-21-7-5-11(6-8-21)17(22)23)20-16(24-10)15-12(18)3-2-4-13(15)19/h2-4,11H,5-9H2,1H3,(H,22,23)
InChIKeyJUOFNEABZLIBNH-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.25
Rot. Bonds4

About 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid

1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 154702878) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
PubChem CID154702878
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1oc(-c2c(Cl)cccc2Cl)nc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C17H18Cl2N2O3/c1-10-14(9-21-7-5-11(6-8-21)17(22)23)20-16(24-10)15-12(18)3-2-4-13(15)19/h2-4,11H,5-9H2,1H3,(H,22,23)
InChIKeyJUOFNEABZLIBNH-UHFFFAOYSA-N
XLogP4.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-anthracen-9-yl-5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 154702903
1-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 6620480
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-cyclopentylpiperidine-4-carboxamide
CID 20859881
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92662416
N-butyl-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859816
4-(azepan-1-yl)-1-[1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]butan-1-one
CID 58540560
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[3-(N-methylanilino)propyl]piperidine-4-carboxamide
CID 20859831
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-2-azaspiro[3.3]heptane-6-carboxylic acid
CID 178059455
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 3236063

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid (CID 154702878) is 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid is Cc1oc(-c2c(Cl)cccc2Cl)nc1CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is JUOFNEABZLIBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-10-14(9-21-7-5-11(6-8-21)17(22)23)20-16(24-10)15-12(18)3-2-4-13(15)19/h2-4,11H,5-9H2,1H3,(H,22,23).
What are the key properties of 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid?
1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 369.25 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,6-dichlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 154702878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).