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

C16H15ClN2O4 — CID 129381228

IUPAC(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2O4/c17-12-5-3-10(4-6-12)14-13(9-23-18-14)15(20)19-7-1-2-11(8-19)16(21)22/h3-6,9,11H,1-2,7-8H2,(H,21,22)/t11-/m1/s1
InChIKeyGSRIXWNNQXJULM-LLVKDONJSA-N
MW334.76 g/mol
LogP2.93
Rot. Bonds3

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

(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid (PubChem CID 129381228) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
PubChem CID129381228
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H15ClN2O4/c17-12-5-3-10(4-6-12)14-13(9-23-18-14)15(20)19-7-1-2-11(8-19)16(21)22/h3-6,9,11H,1-2,7-8H2,(H,21,22)/t11-/m1/s1
InChIKeyGSRIXWNNQXJULM-LLVKDONJSA-N
XLogP2.93
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 111477052
[3-(4-chlorophenyl)-1,2-oxazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491249
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
[3-(3-hydroxypentan-3-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-4-yl]methanone
CID 59170256
(3S)-1-[1-(4-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119113534
1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 60588958
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
(3R)-1-(2-hydroxybenzoyl)piperidine-3-carboxylic acid
CID 30049767
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid (CID 129381228) is (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2conc2-c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is GSRIXWNNQXJULM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-12-5-3-10(4-6-12)14-13(9-23-18-14)15(20)19-7-1-2-11(8-19)16(21)22/h3-6,9,11H,1-2,7-8H2,(H,21,22)/t11-/m1/s1.
What are the key properties of (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid?
(3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 334.76 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(4-chlorophenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129381228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).