[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

C25H24N4O3 — CID 90641934

IUPAC[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1ccccc1-c1noc(CC2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C25H24N4O3/c1-17-8-5-6-12-20(17)24-26-23(32-28-24)14-18-9-7-13-29(16-18)25(30)21-15-22(31-27-21)19-10-3-2-4-11-19/h2-6,8,10-12,15,18H,7,9,13-14,16H2,1H3
InChIKeyRXHZDNGGIQFPJR-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.79
Rot. Bonds5

About [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone

[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (PubChem CID 90641934) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
PubChem CID90641934
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
SMILESCc1ccccc1-c1noc(CC2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1
InChIInChI=1S/C25H24N4O3/c1-17-8-5-6-12-20(17)24-26-23(32-28-24)14-18-9-7-13-29(16-18)25(30)21-15-22(31-27-21)19-10-3-2-4-11-19/h2-6,8,10-12,15,18H,7,9,13-14,16H2,1H3
InChIKeyRXHZDNGGIQFPJR-UHFFFAOYSA-N
XLogP4.79
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 99993504
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90641830
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 90642014
2,1,3-benzothiadiazol-5-yl-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 90641948
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 90641829
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 90641947
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 91628654
1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
(5-chloro-2-methoxyphenyl)-[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 99993374
[(3S)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 99993534
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90642054

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone (CID 90641934) is [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is Cc1ccccc1-c1noc(CC2CCCN(C(=O)c3cc(-c4ccccc4)on3)C2)n1.
What is the InChIKey of [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
The InChIKey is RXHZDNGGIQFPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-8-5-6-12-20(17)24-26-23(32-28-24)14-18-9-7-13-29(16-18)25(30)21-15-22(31-27-21)19-10-3-2-4-11-19/h2-6,8,10-12,15,18H,7,9,13-14,16H2,1H3.
What are the key properties of [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone?
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone has a molecular weight of 428.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 90641934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).