3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C26H25N5O3 — CID 55853352

IUPAC3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n1
InChIInChI=1S/C26H25N5O3/c1-18-7-5-6-10-20(18)24-28-23(34-29-24)17-30-13-15-31(16-14-30)26(33)21-11-12-22(27-25(21)32)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,27,32)
InChIKeyZDCSPCZDCVCAHM-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.36
Rot. Bonds5

About 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 55853352) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID55853352
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCc1ccccc1-c1noc(CN2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n1
InChIInChI=1S/C26H25N5O3/c1-18-7-5-6-10-20(18)24-28-23(34-29-24)17-30-13-15-31(16-14-30)26(33)21-11-12-22(27-25(21)32)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,27,32)
InChIKeyZDCSPCZDCVCAHM-UHFFFAOYSA-N
XLogP3.36
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one with MolForge

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Related Compounds

(3-iodophenyl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 39586517
(6-chloroquinolin-8-yl)-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 55909156
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
methyl 2-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetate
CID 34552390
1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 37088185
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595
(3-methyl-1,2-oxazol-5-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250144
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 86888001
methyl 2-[3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]sulfanylacetate
CID 56568035
4-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 55617778
[4-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 78898971
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 55852244

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 55853352) is 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is Cc1ccccc1-c1noc(CN2CCN(C(=O)c3ccc(-c4ccccc4)[nH]c3=O)CC2)n1.
What is the InChIKey of 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is ZDCSPCZDCVCAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-18-7-5-6-10-20(18)24-28-23(34-29-24)17-30-13-15-31(16-14-30)26(33)21-11-12-22(27-25(21)32)19-8-3-2-4-9-19/h2-12H,13-17H2,1H3,(H,27,32).
What are the key properties of 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 455.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 55853352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).