1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid

C16H14Cl2N2O4 — CID 84557942

IUPAC1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-2-1-10(7-12(11)18)14-19-13(8-24-14)15(21)20-5-3-9(4-6-20)16(22)23/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeyYZVBOZIVNLXFST-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.59
Rot. Bonds3

About 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid

1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 84557942) has the molecular formula C16H14Cl2N2O4 and a molecular weight of 369.20 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID84557942
Molecular FormulaC16H14Cl2N2O4
Molecular Weight369.20 g/mol
Exact Mass368.03
IUPAC Name1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)CC1
InChIInChI=1S/C16H14Cl2N2O4/c17-11-2-1-10(7-12(11)18)14-19-13(8-24-14)15(21)20-5-3-9(4-6-20)16(22)23/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeyYZVBOZIVNLXFST-UHFFFAOYSA-N
XLogP3.59
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
CID 84557885
1-(2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 119137409
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354490
[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 84553156
1-(2-chloro-5-phenylbenzoyl)piperidine-4-carboxylic acid
CID 119349827
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]-methylamino]acetic acid
CID 84557887
(3S)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 124703265
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119520922
1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119235918
[2-(6-amino-3-pyridinyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3857403
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
1-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166630

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid (CID 84557942) is 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)CC1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is YZVBOZIVNLXFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O4/c17-11-2-1-10(7-12(11)18)14-19-13(8-24-14)15(21)20-5-3-9(4-6-20)16(22)23/h1-2,7-9H,3-6H2,(H,22,23).
What are the key properties of 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid?
1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 369.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 84557942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).