(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

C21H20ClFN4O2 — CID 51961377

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H20ClFN4O2/c22-16-5-8-19(24-10-16)26-20(28)15-2-1-9-27(11-15)12-18-13-29-21(25-18)14-3-6-17(23)7-4-14/h3-8,10,13,15H,1-2,9,11-12H2,(H,24,26,28)/t15-/m1/s1
InChIKeyUUNNALYOYPVFHO-OAHLLOKOSA-N
MW414.87 g/mol
LogP4.38
Rot. Bonds5

About (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 51961377) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID51961377
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C21H20ClFN4O2/c22-16-5-8-19(24-10-16)26-20(28)15-2-1-9-27(11-15)12-18-13-29-21(25-18)14-3-6-17(23)7-4-14/h3-8,10,13,15H,1-2,9,11-12H2,(H,24,26,28)/t15-/m1/s1
InChIKeyUUNNALYOYPVFHO-OAHLLOKOSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 55995549
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
(3R)-1-[[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 129394063
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 51961377) is (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cc2coc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is UUNNALYOYPVFHO-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-16-5-8-19(24-10-16)26-20(28)15-2-1-9-27(11-15)12-18-13-29-21(25-18)14-3-6-17(23)7-4-14/h3-8,10,13,15H,1-2,9,11-12H2,(H,24,26,28)/t15-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51961377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).