4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C25H27N5O3 — CID 3864883

IUPAC4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C25H27N5O3/c1-18-24(19-6-3-2-4-7-19)33-25(32)30(18)21-9-13-28(14-10-21)23(31)17-29-15-11-22(27-29)20-8-5-12-26-16-20/h2-8,11-12,15-16,18,21,24H,9-10,13-14,17H2,1H3
InChIKeyKLEWRYHOYYYVMX-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.52
Rot. Bonds5

About 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3864883) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3864883
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccnc3)n2)CC1
InChIInChI=1S/C25H27N5O3/c1-18-24(19-6-3-2-4-7-19)33-25(32)30(18)21-9-13-28(14-10-21)23(31)17-29-15-11-22(27-29)20-8-5-12-26-16-20/h2-8,11-12,15-16,18,21,24H,9-10,13-14,17H2,1H3
InChIKeyKLEWRYHOYYYVMX-UHFFFAOYSA-N
XLogP3.52
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3864883) is 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccnc3)n2)CC1.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is KLEWRYHOYYYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-18-24(19-6-3-2-4-7-19)33-25(32)30(18)21-9-13-28(14-10-21)23(31)17-29-15-11-22(27-29)20-8-5-12-26-16-20/h2-8,11-12,15-16,18,21,24H,9-10,13-14,17H2,1H3.
What are the key properties of 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[1-[2-(3-pyridin-3-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3864883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).