N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

C121H151ClN15O18+ — CID 158992681

IUPACN-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESCc1co[n+](C(C(=O)N2CC(O)CC2C(=O)NCc2ccc(Cl)cc2C(C)(C)C)C(C)C)c1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.Cc1oncc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.[C-]#[N+]c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1
InChIInChI=1S/2C33H40N4O5.C30H36N4O4.C25H34ClN3O4/c1-19(2)29(37-17-23-9-7-8-10-25(23)31(37)40)32(41)36-18-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-16-35-42-20(26)3;1-19(2)29(37-16-23-9-7-8-10-25(23)31(37)40)32(41)36-17-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-18-42-35-20(26)3;1-18(2)26(34-16-20-9-7-8-10-23(20)28(34)37)29(38)33-17-22(35)14-25(33)27(36)32-15-19-11-12-21(31-6)13-24(19)30(3,4)5;1-15(2)22(29-12-16(3)14-33-29)24(32)28-13-19(30)10-21(28)23(31)27-11-17-7-8-18(26)9-20(17)25(4,5)6/h7-13,16,19,24,28-29,38H,14-15,17-18H2,1-6H3,(H,34,39);7-13,18-19,24,28-29,38H,14-17H2,1-6H3,(H,34,39);7-13,18,22,25-26,35H,14-17H2,1-5H3,(H,32,36);7-9,12,14-15,19,21-22,30H,10-11,13H2,1-6H3/p+1
InChIKeyFKPRMAIQUBEWCX-UHFFFAOYSA-O
MW2139.08 g/mol
LogP15.51
Rot. Bonds26

About N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 158992681) has the molecular formula C121H151ClN15O18+ and a molecular weight of 2139.08 g/mol. Its IUPAC name is N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
PubChem CID158992681
Molecular FormulaC121H151ClN15O18+
Molecular Weight2139.08 g/mol
Exact Mass2137.10
IUPAC NameN-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
SMILESCc1co[n+](C(C(=O)N2CC(O)CC2C(=O)NCc2ccc(Cl)cc2C(C)(C)C)C(C)C)c1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.Cc1oncc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.[C-]#[N+]c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1
InChIInChI=1S/2C33H40N4O5.C30H36N4O4.C25H34ClN3O4/c1-19(2)29(37-17-23-9-7-8-10-25(23)31(37)40)32(41)36-18-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-16-35-42-20(26)3;1-19(2)29(37-16-23-9-7-8-10-25(23)31(37)40)32(41)36-17-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-18-42-35-20(26)3;1-18(2)26(34-16-20-9-7-8-10-23(20)28(34)37)29(38)33-17-22(35)14-25(33)27(36)32-15-19-11-12-21(31-6)13-24(19)30(3,4)5;1-15(2)22(29-12-16(3)14-33-29)24(32)28-13-19(30)10-21(28)23(31)27-11-17-7-8-18(26)9-20(17)25(4,5)6/h7-13,16,19,24,28-29,38H,14-15,17-18H2,1-6H3,(H,34,39);7-13,18-19,24,28-29,38H,14-17H2,1-6H3,(H,34,39);7-13,18,22,25-26,35H,14-17H2,1-5H3,(H,32,36);7-9,12,14-15,19,21-22,30H,10-11,13H2,1-6H3/p+1
InChIKeyFKPRMAIQUBEWCX-UHFFFAOYSA-O
XLogP15.51
TPSA412.93 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002139.08
LogP ≤ 515.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (CID 158992681) is N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is Cc1co[n+](C(C(=O)N2CC(O)CC2C(=O)NCc2ccc(Cl)cc2C(C)(C)C)C(C)C)c1.Cc1nocc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.Cc1oncc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.[C-]#[N+]c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.
What is the InChIKey of N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
The InChIKey is FKPRMAIQUBEWCX-UHFFFAOYSA-O. The full InChI is InChI=1S/2C33H40N4O5.C30H36N4O4.C25H34ClN3O4/c1-19(2)29(37-17-23-9-7-8-10-25(23)31(37)40)32(41)36-18-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-16-35-42-20(26)3;1-19(2)29(37-16-23-9-7-8-10-25(23)31(37)40)32(41)36-17-24(38)14-28(36)30(39)34-15-22-12-11-21(13-27(22)33(4,5)6)26-18-42-35-20(26)3;1-18(2)26(34-16-20-9-7-8-10-23(20)28(34)37)29(38)33-17-22(35)14-25(33)27(36)32-15-19-11-12-21(31-6)13-24(19)30(3,4)5;1-15(2)22(29-12-16(3)14-33-29)24(32)28-13-19(30)10-21(28)23(31)27-11-17-7-8-18(26)9-20(17)25(4,5)6/h7-13,16,19,24,28-29,38H,14-15,17-18H2,1-6H3,(H,34,39);7-13,18-19,24,28-29,38H,14-17H2,1-6H3,(H,34,39);7-13,18,22,25-26,35H,14-17H2,1-5H3,(H,32,36);7-9,12,14-15,19,21-22,30H,10-11,13H2,1-6H3/p+1.
What are the key properties of N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?
N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 2139.08 g/mol, XLogP of 15.51, 26 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-4-chlorophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(4-methyl-1,2-oxazol-2-ium-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[(2-tert-butyl-4-isocyanophenyl)methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(3-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide;N-[[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]methyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158992681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).