(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

C21H20N4O4 — CID 97279481

IUPAC(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1C(=O)c1ccno1
InChIInChI=1S/C21H20N4O4/c26-20(17-8-4-5-13-25(17)21(27)18-11-12-23-29-18)24-15-9-10-19(22-14-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,17H,4-5,8,13H2,(H,24,26)/t17-/m1/s1
InChIKeyHQRORBOIZOQGAQ-QGZVFWFLSA-N
MW392.42 g/mol
LogP3.50
Rot. Bonds5

About (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 97279481) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID97279481
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1C(=O)c1ccno1
InChIInChI=1S/C21H20N4O4/c26-20(17-8-4-5-13-25(17)21(27)18-11-12-23-29-18)24-15-9-10-19(22-14-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,17H,4-5,8,13H2,(H,24,26)/t17-/m1/s1
InChIKeyHQRORBOIZOQGAQ-QGZVFWFLSA-N
XLogP3.50
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 42286968
(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
1-(1,2-oxazole-5-carbonyl)-N-[4-[(E)-2-[4-[[1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 15980604
1-(furan-2-carbonyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperidine-2-carboxamide
CID 55961635
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
CID 42198878
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
N-(6-phenoxy-3-pyridinyl)-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 72851940
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 97279481) is (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCCN1C(=O)c1ccno1.
What is the InChIKey of (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is HQRORBOIZOQGAQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-20(17-8-4-5-13-25(17)21(27)18-11-12-23-29-18)24-15-9-10-19(22-14-15)28-16-6-2-1-3-7-16/h1-3,6-7,9-12,14,17H,4-5,8,13H2,(H,24,26)/t17-/m1/s1.
What are the key properties of (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 97279481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).