3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide

C30H33F3N4O5 — CID 10281888

IUPAC3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C30H33F3N4O5/c1-16(2)25(35-28(40)24-17(3)36-42-18(24)4)29(41)37-13-7-10-23(37)27(39)34-22(26(38)30(31,32)33)15-19-11-12-20-8-5-6-9-21(20)14-19/h5-6,8-9,11-12,14,16,22-23,25H,7,10,13,15H2,1-4H3,(H,34,39)(H,35,40)/t22?,23-,25-/m0/s1
InChIKeyOAEIEAZNDHDYEB-HPZMQGABSA-N
MW586.61 g/mol
LogP4.05
Rot. Bonds9

About 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 10281888) has the molecular formula C30H33F3N4O5 and a molecular weight of 586.61 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID10281888
Molecular FormulaC30H33F3N4O5
Molecular Weight586.61 g/mol
Exact Mass586.24
IUPAC Name3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C30H33F3N4O5/c1-16(2)25(35-28(40)24-17(3)36-42-18(24)4)29(41)37-13-7-10-23(37)27(39)34-22(26(38)30(31,32)33)15-19-11-12-20-8-5-6-9-21(20)14-19/h5-6,8-9,11-12,14,16,22-23,25H,7,10,13,15H2,1-4H3,(H,34,39)(H,35,40)/t22?,23-,25-/m0/s1
InChIKeyOAEIEAZNDHDYEB-HPZMQGABSA-N
XLogP4.05
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.61
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(2S)-2-[[1-(1-benzothiophen-3-yl)-4,4,4-trifluoro-3-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 10210621
3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide
CID 163984397
4-(methylamino)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]piperidine-1-carboxamide
CID 59985250
N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 10289655
(2S)-1-[(2S)-2-[(2,6-dimethoxybenzoyl)amino]-3-methylbutanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 10530236
5-tert-butyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 10174647
5-(4-chlorophenyl)-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide
CID 10312070
(2S)-1-[(2S)-2-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoyl]-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carboxamide
CID 73354820
5-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 10239715
3-[[4-[[3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoyl]amino]propanoic acid
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CID 11627313
benzyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 10696687

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide (CID 10281888) is 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccc2ccccc2c1)C(=O)C(F)(F)F)C(C)C.
What is the InChIKey of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is OAEIEAZNDHDYEB-HPZMQGABSA-N. The full InChI is InChI=1S/C30H33F3N4O5/c1-16(2)25(35-28(40)24-17(3)36-42-18(24)4)29(41)37-13-7-10-23(37)27(39)34-22(26(38)30(31,32)33)15-19-11-12-20-8-5-6-9-21(20)14-19/h5-6,8-9,11-12,14,16,22-23,25H,7,10,13,15H2,1-4H3,(H,34,39)(H,35,40)/t22?,23-,25-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 586.61 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(4,4,4-trifluoro-1-naphthalen-2-yl-3-oxobutan-2-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 10281888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).