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

C24H24N4O2S — CID 123420182

IUPACN-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1
InChIInChI=1S/C24H24N4O2S/c29-24(25-19-9-5-2-6-10-19)28-13-11-18(12-14-28)23-26-21(16-31-23)20-15-22(30-27-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,27H,11-14H2,(H,25,29)
InChIKeyJLWFEHVXSUFVNA-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.17
Rot. Bonds4

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

N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 123420182) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID123420182
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1
InChIInChI=1S/C24H24N4O2S/c29-24(25-19-9-5-2-6-10-19)28-13-11-18(12-14-28)23-26-21(16-31-23)20-15-22(30-27-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,27H,11-14H2,(H,25,29)
InChIKeyJLWFEHVXSUFVNA-UHFFFAOYSA-N
XLogP5.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 123803499
2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 90897921
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-[4-[4-[(5S)-5-phenyl-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 90716860
tert-butyl 4-[4-[5-[2-(methanesulfonamido)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 123973691
tert-butyl 4-[4-[5-(2-chloro-6-hydroxyphenyl)-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 123306209
4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 127047499
1-[4-[4-[5-(2-acetylphenyl)-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 123819600
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[4-[5-[2-(2-methoxyethoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 123355348
2-[3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2,5-dihydro-1,2-oxazol-5-yl]benzonitrile
CID 90984656
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-1-[4-[4-[5-[2-(3-methylbut-2-enoxy)phenyl]-2,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]ethanone
CID 123850860
N-[3-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]-2,5-dihydro-1,2-oxazol-5-yl]-N-phenylacetamide
CID 91575393

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 123420182) is N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1.
What is the InChIKey of N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is JLWFEHVXSUFVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-24(25-19-9-5-2-6-10-19)28-13-11-18(12-14-28)23-26-21(16-31-23)20-15-22(30-27-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,27H,11-14H2,(H,25,29).
What are the key properties of N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 123420182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).