N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C29H32F2N4O5S — CID 23396471

IUPACN-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C29H32F2N4O5S/c1-16-23(17(2)40-34-16)26(37)33-22(13-18-9-6-5-7-10-18)24(36)28(39)35-15-41-29(3,4)25(35)27(38)32-14-19-20(30)11-8-12-21(19)31/h5-12,22,24-25,36H,13-15H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyKQZWRWVSJHMWDR-UHFFFAOYSA-N
MW586.66 g/mol
LogP3.27
Rot. Bonds9

About N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 23396471) has the molecular formula C29H32F2N4O5S and a molecular weight of 586.66 g/mol. Its IUPAC name is N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID23396471
Molecular FormulaC29H32F2N4O5S
Molecular Weight586.66 g/mol
Exact Mass586.21
IUPAC NameN-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C29H32F2N4O5S/c1-16-23(17(2)40-34-16)26(37)33-22(13-18-9-6-5-7-10-18)24(36)28(39)35-15-41-29(3,4)25(35)27(38)32-14-19-20(30)11-8-12-21(19)31/h5-12,22,24-25,36H,13-15H2,1-4H3,(H,32,38)(H,33,37)
InChIKeyKQZWRWVSJHMWDR-UHFFFAOYSA-N
XLogP3.27
TPSA124.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.66
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-[(2S,3S)-3-[(2,6-difluorobenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 58788577
N-benzyl-3-[3-(benzylcarbamoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
CID 21043034
3-[3-[(3-fluoro-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 23396419
3-[(2S,3S)-3-[(3-fluoro-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 10229572
3-[(2S,3S)-2-hydroxy-3-[(2-methylphenyl)methylcarbamoylamino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 69423868
5-chloro-N-[4-[5,5-dimethyl-4-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 23396488
N-[(2S,3S)-4-(5,5-dimethyl-1,3-thiazolidin-3-yl)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 71219202
N-[4-[4-[(4-chloro-2-methylphenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 11758031
(4R)-3-[(2S,3S)-2-hydroxy-4-phenyl-3-(propan-2-ylcarbamoylamino)butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 514783
(4R)-3-[(2S,3S)-3-(benzoylcarbamoylamino)-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 58682246
tert-butyl N-[4-[4-(benzylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamate
CID 21043096
3-[2-hydroxy-4-phenyl-3-[(2,2,2-trifluoroacetyl)amino]butanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 21042507

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 23396471) is N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is KQZWRWVSJHMWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N4O5S/c1-16-23(17(2)40-34-16)26(37)33-22(13-18-9-6-5-7-10-18)24(36)28(39)35-15-41-29(3,4)25(35)27(38)32-14-19-20(30)11-8-12-21(19)31/h5-12,22,24-25,36H,13-15H2,1-4H3,(H,32,38)(H,33,37).
What are the key properties of N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 586.66 g/mol, XLogP of 3.27, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2,6-difluorophenyl)methylcarbamoyl]-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23396471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).