N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C26H22N6O3 — CID 44628527

IUPACN-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1-c1cnco1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H22N6O3/c33-26(29-21-8-4-2-6-19(21)23-15-27-16-34-23)32-13-11-18(12-14-32)25-30-24(31-35-25)22-10-9-17-5-1-3-7-20(17)28-22/h1-10,15-16,18H,11-14H2,(H,29,33)
InChIKeyILHMUVOMWOXMDP-UHFFFAOYSA-N
MW466.50 g/mol
LogP5.35
Rot. Bonds4

About N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 44628527) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID44628527
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC NameN-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1-c1cnco1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C26H22N6O3/c33-26(29-21-8-4-2-6-19(21)23-15-27-16-34-23)32-13-11-18(12-14-32)25-30-24(31-35-25)22-10-9-17-5-1-3-7-20(17)28-22/h1-10,15-16,18H,11-14H2,(H,29,33)
InChIKeyILHMUVOMWOXMDP-UHFFFAOYSA-N
XLogP5.35
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.50
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56661561
N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44628524
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 44628150
4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)piperidine-1-carboxamide
CID 56664981
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
CID 44629236
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56675305
4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 4569000
N-(2-ethylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760971
N-(2-bromophenyl)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760920
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230
N-(2,4-dichlorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 5207523

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 44628527) is N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccccc1-c1cnco1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ILHMUVOMWOXMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3/c33-26(29-21-8-4-2-6-19(21)23-15-27-16-34-23)32-13-11-18(12-14-32)25-30-24(31-35-25)22-10-9-17-5-1-3-7-20(17)28-22/h1-10,15-16,18H,11-14H2,(H,29,33).
What are the key properties of N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 44628527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).