4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H21F3N4O3 — CID 3476792

IUPAC4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C20H21F3N4O3/c1-12-16(13-5-3-2-4-6-13)30-19(29)27(12)14-7-9-26(10-8-14)18(28)15-11-24-25-17(15)20(21,22)23/h2-6,11-12,14,16H,7-10H2,1H3,(H,24,25)
InChIKeyJPOXNVNKJRJJFJ-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.62
Rot. Bonds3

About 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one

4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3476792) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3476792
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C20H21F3N4O3/c1-12-16(13-5-3-2-4-6-13)30-19(29)27(12)14-7-9-26(10-8-14)18(28)15-11-24-25-17(15)20(21,22)23/h2-6,11-12,14,16H,7-10H2,1H3,(H,24,25)
InChIKeyJPOXNVNKJRJJFJ-UHFFFAOYSA-N
XLogP3.62
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3476792) is 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CC1C(c2ccccc2)OC(=O)N1C1CCN(C(=O)c2cn[nH]c2C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is JPOXNVNKJRJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-12-16(13-5-3-2-4-6-13)30-19(29)27(12)14-7-9-26(10-8-14)18(28)15-11-24-25-17(15)20(21,22)23/h2-6,11-12,14,16H,7-10H2,1H3,(H,24,25).
What are the key properties of 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 422.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[1-[5-(trifluoromethyl)-1H-pyrazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3476792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).