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

C23H24N4O3S — CID 3533649

IUPAC4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-22(15-26-13-10-19(24-26)21-7-4-14-31-21)25-11-8-18(9-12-25)27-20(16-30-23(27)29)17-5-2-1-3-6-17/h1-7,10,13-14,18,20H,8-9,11-12,15-16H2
InChIKeyPOUJBBHAEOCYRX-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.80
Rot. Bonds5

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

4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3533649) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3533649
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1
InChIInChI=1S/C23H24N4O3S/c28-22(15-26-13-10-19(24-26)21-7-4-14-31-21)25-11-8-18(9-12-25)27-20(16-30-23(27)29)17-5-2-1-3-6-17/h1-7,10,13-14,18,20H,8-9,11-12,15-16H2
InChIKeyPOUJBBHAEOCYRX-UHFFFAOYSA-N
XLogP3.80
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3533649) is 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is O=C(Cn1ccc(-c2cccs2)n1)N1CCC(N2C(=O)OCC2c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is POUJBBHAEOCYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-22(15-26-13-10-19(24-26)21-7-4-14-31-21)25-11-8-18(9-12-25)27-20(16-30-23(27)29)17-5-2-1-3-6-17/h1-7,10,13-14,18,20H,8-9,11-12,15-16H2.
What are the key properties of 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 436.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3533649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).