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

C24H26N4O3S — CID 74228757

IUPAC(4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccs3)n2)CC1
InChIInChI=1S/C24H26N4O3S/c1-17-23(18-6-3-2-4-7-18)31-24(30)28(17)19-9-12-26(13-10-19)22(29)16-27-14-11-20(25-27)21-8-5-15-32-21/h2-8,11,14-15,17,19,23H,9-10,12-13,16H2,1H3/t17-,23-/m1/s1
InChIKeyLOQKDNYJKYFOTO-UZUQRXQVSA-N
MW450.56 g/mol
LogP4.18
Rot. Bonds5

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

(4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 74228757) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID74228757
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name(4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccs3)n2)CC1
InChIInChI=1S/C24H26N4O3S/c1-17-23(18-6-3-2-4-7-18)31-24(30)28(17)19-9-12-26(13-10-19)22(29)16-27-14-11-20(25-27)21-8-5-15-32-21/h2-8,11,14-15,17,19,23H,9-10,12-13,16H2,1H3/t17-,23-/m1/s1
InChIKeyLOQKDNYJKYFOTO-UZUQRXQVSA-N
XLogP4.18
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 74228757) is (4R,5S)-4-methyl-5-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 (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C1CCN(C(=O)Cn2ccc(-c3cccs3)n2)CC1.
What is the InChIKey of (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is LOQKDNYJKYFOTO-UZUQRXQVSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-17-23(18-6-3-2-4-7-18)31-24(30)28(17)19-9-12-26(13-10-19)22(29)16-27-14-11-20(25-27)21-8-5-15-32-21/h2-8,11,14-15,17,19,23H,9-10,12-13,16H2,1H3/t17-,23-/m1/s1.
What are the key properties of (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
(4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 450.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-5-phenyl-3-[1-[2-(3-thiophen-2-ylpyrazol-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 74228757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).