N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C19H16ClF3N4O2 — CID 11669047

IUPACN-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oncc2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF3N4O2/c20-15-8-13(19(21,22)23)10-24-17(15)27-5-3-11(4-6-27)18(28)26-14-1-2-16-12(7-14)9-25-29-16/h1-2,7-11H,3-6H2,(H,26,28)
InChIKeyBJUMUUWJUPITRJ-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.75
Rot. Bonds3

About N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 11669047) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID11669047
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC NameN-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2oncc2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C19H16ClF3N4O2/c20-15-8-13(19(21,22)23)10-24-17(15)27-5-3-11(4-6-27)18(28)26-14-1-2-16-12(7-14)9-25-29-16/h1-2,7-11H,3-6H2,(H,26,28)
InChIKeyBJUMUUWJUPITRJ-UHFFFAOYSA-N
XLogP4.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamidopyridin-3-yl)-6-chloro-3-(3-(trifluoromethyl)phenylamino)benzo[d]isoxazole-7-carboxamide
CID 25068622
N-(6-aminopyridin-3-yl)-6-chloro-3-(3-(trifluoromethyl)phenylamino)benzo[d]isoxazole-7-carboxamide
CID 25068621
6-chloro-N-(pyridin-3-yl)-3-(3-(trifluoromethyl)phenylamino)benzo[d]isoxazole-7-carboxamide
CID 25068623
5-chloro-2-N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 156768868
US9579320, Example 230
CID 57472030
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(3-oxo-1,2-benzoxazol-5-yl)pyridine-3-carboxamide
CID 172449424
5-(4-chlorophenyl)-N-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 40043413
[2-(Dimethylamino)-4-pyridinyl]-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
CID 46972202
N-(6-chloro-3-pyridinyl)-7-fluoro-1,2-benzoxazol-3-amine
CID 9835024
N-(6-chloro-3-pyridinyl)-6,7-difluoro-1,2-benzoxazol-3-amine
CID 9878856
N-(6-chloropyridin-3-yl)-6-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 9879840
N-(6-chloropyridin-3-yl)-7-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 9901378

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 11669047) is N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1ccc2oncc2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is BJUMUUWJUPITRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c20-15-8-13(19(21,22)23)10-24-17(15)27-5-3-11(4-6-27)18(28)26-14-1-2-16-12(7-14)9-25-29-16/h1-2,7-11H,3-6H2,(H,26,28).
What are the key properties of N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 424.81 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 11669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).