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

C24H23N3O3S — CID 123803499

IUPACphenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1
InChIInChI=1S/C24H23N3O3S/c28-24(29-19-9-5-2-6-10-19)27-13-11-18(12-14-27)23-25-21(16-31-23)20-15-22(30-26-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,26H,11-14H2
InChIKeyOZAHHKHPEMNOBQ-UHFFFAOYSA-N
MW433.53 g/mol
LogP5.14
Rot. Bonds4

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

phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (PubChem CID 123803499) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
PubChem CID123803499
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Namephenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1
InChIInChI=1S/C24H23N3O3S/c28-24(29-19-9-5-2-6-10-19)27-13-11-18(12-14-27)23-25-21(16-31-23)20-15-22(30-26-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,26H,11-14H2
InChIKeyOZAHHKHPEMNOBQ-UHFFFAOYSA-N
XLogP5.14
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

N-phenyl-4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 123420182
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
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
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
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
(2-methylphenyl) 4-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 127045758
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
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-[3,5-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
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-[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
tert-butyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68778443

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate (CID 123803499) is phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCC(c2nc(C3=CC(c4ccccc4)ON3)cs2)CC1.
What is the InChIKey of phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
The InChIKey is OZAHHKHPEMNOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c28-24(29-19-9-5-2-6-10-19)27-13-11-18(12-14-27)23-25-21(16-31-23)20-15-22(30-26-20)17-7-3-1-4-8-17/h1-10,15-16,18,22,26H,11-14H2.
What are the key properties of phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate?
phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate has a molecular weight of 433.53 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[4-(5-phenyl-2,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 123803499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).