N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide

C24H32F3N3O4 — CID 66643063

IUPACN-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=C1/OC(C)(C)CN1C[C@H]1CCCO1
InChIInChI=1S/C24H32F3N3O4/c1-23(2)15-30(13-18-7-5-11-32-18)22(34-23)28-21(31)19-12-16(24(25,26)27)8-9-20(19)33-14-17-6-4-10-29(17)3/h8-9,12,17-18H,4-7,10-11,13-15H2,1-3H3/b28-22+/t17-,18+/m0/s1
InChIKeyGNZIOCVRIBEFGU-KQHWUTGZSA-N
MW483.53 g/mol
LogP3.96
Rot. Bonds6

About N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide

N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide (PubChem CID 66643063) has the molecular formula C24H32F3N3O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
PubChem CID66643063
Molecular FormulaC24H32F3N3O4
Molecular Weight483.53 g/mol
Exact Mass483.23
IUPAC NameN-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
SMILESCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=C1/OC(C)(C)CN1C[C@H]1CCCO1
InChIInChI=1S/C24H32F3N3O4/c1-23(2)15-30(13-18-7-5-11-32-18)22(34-23)28-21(31)19-12-16(24(25,26)27)8-9-20(19)33-14-17-6-4-10-29(17)3/h8-9,12,17-18H,4-7,10-11,13-15H2,1-3H3/b28-22+/t17-,18+/m0/s1
InChIKeyGNZIOCVRIBEFGU-KQHWUTGZSA-N
XLogP3.96
TPSA63.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide (CID 66643063) is N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide is CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=C1/OC(C)(C)CN1C[C@H]1CCCO1.
What is the InChIKey of N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
The InChIKey is GNZIOCVRIBEFGU-KQHWUTGZSA-N. The full InChI is InChI=1S/C24H32F3N3O4/c1-23(2)15-30(13-18-7-5-11-32-18)22(34-23)28-21(31)19-12-16(24(25,26)27)8-9-20(19)33-14-17-6-4-10-29(17)3/h8-9,12,17-18H,4-7,10-11,13-15H2,1-3H3/b28-22+/t17-,18+/m0/s1.
What are the key properties of N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide?
N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide has a molecular weight of 483.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,5-dimethyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazolidin-2-ylidene]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66643063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).