3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one

C24H25F3N4O3 — CID 67380947

IUPAC3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3C3CC3)CC2)cc1
InChIInChI=1S/C24H25F3N4O3/c1-15-14-34-23(33)31(15)19-6-4-17(5-7-19)22(32)30-10-8-29(9-11-30)21-20(16-2-3-16)12-18(13-28-21)24(25,26)27/h4-7,12-13,15-16H,2-3,8-11,14H2,1H3
InChIKeyHTSOPHSXXXIUFX-UHFFFAOYSA-N
MW474.48 g/mol
LogP4.29
Rot. Bonds4

About 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one

3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67380947) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
PubChem CID67380947
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
SMILESCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3C3CC3)CC2)cc1
InChIInChI=1S/C24H25F3N4O3/c1-15-14-34-23(33)31(15)19-6-4-17(5-7-19)22(32)30-10-8-29(9-11-30)21-20(16-2-3-16)12-18(13-28-21)24(25,26)27/h4-7,12-13,15-16H,2-3,8-11,14H2,1H3
InChIKeyHTSOPHSXXXIUFX-UHFFFAOYSA-N
XLogP4.29
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67381361
(4S)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 67381184
(4R)-3-[4-[4-(3-cyclopropyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484736
(4R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380868
(4R)-3-[4-[4-(5-cyclobutyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 67380790
4-methyl-3-[4-[4-(3,5,6-trimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-1,3-oxazolidin-2-one;hydrochloride
CID 67381355
(4R)-3-[6-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 58484873
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 67381372
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
CID 67380804
[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 67380711
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43000461
[2,4-bis(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71252559

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one (CID 67380947) is 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is CC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3C3CC3)CC2)cc1.
What is the InChIKey of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is HTSOPHSXXXIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-15-14-34-23(33)31(15)19-6-4-17(5-7-19)22(32)30-10-8-29(9-11-30)21-20(16-2-3-16)12-18(13-28-21)24(25,26)27/h4-7,12-13,15-16H,2-3,8-11,14H2,1H3.
What are the key properties of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one?
3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 474.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]phenyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67380947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).