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

C27H33F3N4O5 — CID 10289655

IUPACN-[(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
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)no2)cc1
InChIInChI=1S/C27H33F3N4O5/c1-14(2)21(23(35)27(28,29)30)31-25(37)19-7-6-12-34(19)26(38)22(15(3)4)32-24(36)18-13-20(39-33-18)17-10-8-16(5)9-11-17/h8-11,13-15,19,21-22H,6-7,12H2,1-5H3,(H,31,37)(H,32,36)/t19-,21-,22-/m0/s1
InChIKeyUOBFFSVNOQVTKZ-BVSLBCMMSA-N
MW550.58 g/mol
LogP3.67
Rot. Bonds9

About 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

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 (PubChem CID 10289655) has the molecular formula C27H33F3N4O5 and a molecular weight of 550.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID10289655
Molecular FormulaC27H33F3N4O5
Molecular Weight550.58 g/mol
Exact Mass550.24
IUPAC NameN-[(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
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)no2)cc1
InChIInChI=1S/C27H33F3N4O5/c1-14(2)21(23(35)27(28,29)30)31-25(37)19-7-6-12-34(19)26(38)22(15(3)4)32-24(36)18-13-20(39-33-18)17-10-8-16(5)9-11-17/h8-11,13-15,19,21-22H,6-7,12H2,1-5H3,(H,31,37)(H,32,36)/t19-,21-,22-/m0/s1
InChIKeyUOBFFSVNOQVTKZ-BVSLBCMMSA-N
XLogP3.67
TPSA121.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.58
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C)no2)cc1.
What is the InChIKey of 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?
The InChIKey is UOBFFSVNOQVTKZ-BVSLBCMMSA-N. The full InChI is InChI=1S/C27H33F3N4O5/c1-14(2)21(23(35)27(28,29)30)31-25(37)19-7-6-12-34(19)26(38)22(15(3)4)32-24(36)18-13-20(39-33-18)17-10-8-16(5)9-11-17/h8-11,13-15,19,21-22H,6-7,12H2,1-5H3,(H,31,37)(H,32,36)/t19-,21-,22-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 550.58 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10289655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).