[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C24H21F2N5O2 — CID 86948363

IUPAC[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C24H21F2N5O2/c1-30-14-19(21(28-30)18-8-7-17(25)13-20(18)26)24(32)31-11-9-16(10-12-31)23-27-22(29-33-23)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3
InChIKeyUEWQGKWMIYHITQ-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.44
Rot. Bonds4

About [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 86948363) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID86948363
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C24H21F2N5O2/c1-30-14-19(21(28-30)18-8-7-17(25)13-20(18)26)24(32)31-11-9-16(10-12-31)23-27-22(29-33-23)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3
InChIKeyUEWQGKWMIYHITQ-UHFFFAOYSA-N
XLogP4.44
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 91946461
(3-fluorophenyl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53032681
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
[2-(cyclopropylmethoxy)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86889075
[2-(2-ethoxyethoxy)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86889077
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 4538481
(2,4-difluorophenyl)-[(3R,4R)-3-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 87051982
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 42760543
(2,4-difluorophenyl)-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1453775
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 86949275
(2-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051395

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 86948363) is [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cn1cc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is UEWQGKWMIYHITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-30-14-19(21(28-30)18-8-7-17(25)13-20(18)26)24(32)31-11-9-16(10-12-31)23-27-22(29-33-23)15-5-3-2-4-6-15/h2-8,13-14,16H,9-12H2,1H3.
What are the key properties of [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 449.46 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86948363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).