5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

C15H15ClN2O3 — CID 117491916

IUPAC5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2N2CCCCC2)on1
InChIInChI=1S/C15H15ClN2O3/c16-10-4-5-13(18-6-2-1-3-7-18)11(8-10)14-9-12(15(19)20)17-21-14/h4-5,8-9H,1-3,6-7H2,(H,19,20)
InChIKeyONEIROSOYZGRRG-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.68
Rot. Bonds3

About 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid

5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117491916) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117491916
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Cl)ccc2N2CCCCC2)on1
InChIInChI=1S/C15H15ClN2O3/c16-10-4-5-13(18-6-2-1-3-7-18)11(8-10)14-9-12(15(19)20)17-21-14/h4-5,8-9H,1-3,6-7H2,(H,19,20)
InChIKeyONEIROSOYZGRRG-UHFFFAOYSA-N
XLogP3.68
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
5-(5-fluoro-2-piperidin-1-ylphenyl)-1,2-oxazol-3-amine
CID 117407236
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-1,2-oxazole-3-carboxylic acid
CID 136963380

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117491916) is 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(Cl)ccc2N2CCCCC2)on1.
What is the InChIKey of 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ONEIROSOYZGRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-10-4-5-13(18-6-2-1-3-7-18)11(8-10)14-9-12(15(19)20)17-21-14/h4-5,8-9H,1-3,6-7H2,(H,19,20).
What are the key properties of 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117491916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).