1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one

C25H28N6O5 — CID 156873363

IUPAC1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one
SMILESCOc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2nccn2Cc2nc(-c3ccccc3)no2)C(C)C)on1
InChIInChI=1S/C25H28N6O5/c1-15(2)22(19-12-20(34-3)28-35-19)25(33)31-13-17(32)11-18(31)24-26-9-10-30(24)14-21-27-23(29-36-21)16-7-5-4-6-8-16/h4-10,12,15,17-18,22,32H,11,13-14H2,1-3H3/t17-,18+,22?/m1/s1
InChIKeyKIIQWVFVVJMRMI-HVHHGIHYSA-N
MW492.54 g/mol
LogP3.05
Rot. Bonds8

About 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one

1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one (PubChem CID 156873363) has the molecular formula C25H28N6O5 and a molecular weight of 492.54 g/mol. Its IUPAC name is 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one
PubChem CID156873363
Molecular FormulaC25H28N6O5
Molecular Weight492.54 g/mol
Exact Mass492.21
IUPAC Name1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one
SMILESCOc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2nccn2Cc2nc(-c3ccccc3)no2)C(C)C)on1
InChIInChI=1S/C25H28N6O5/c1-15(2)22(19-12-20(34-3)28-35-19)25(33)31-13-17(32)11-18(31)24-26-9-10-30(24)14-21-27-23(29-36-21)16-7-5-4-6-8-16/h4-10,12,15,17-18,22,32H,11,13-14H2,1-3H3/t17-,18+,22?/m1/s1
InChIKeyKIIQWVFVVJMRMI-HVHHGIHYSA-N
XLogP3.05
TPSA132.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one 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

1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenylmethoxyphenyl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one
CID 156873210
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidine-1-carboxylate
CID 156873452
(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 159593323
N-cyclopropyl-2-[(2S,4R)-4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-N-(4-phenylbutyl)-1H-imidazole-5-carboxamide
CID 156873512
4-hydroxy-1-[2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 139527831
benzyl (2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxylate
CID 142572951
1-[2-(3-benzyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 142573222
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol
CID 74506554
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572853
(4S)-2-[(4R)-1-[2-[3-(5-aminopentoxy)-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one;hydrochloride
CID 162468917
1-[(2S,4R)-2-(5,6-dihydro-2H-1,2,4-benzoxadiazocin-3-yl)-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166968408
5-[[2-(1-phenylethyl)imidazol-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56863914

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one?
The IUPAC name of 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one (CID 156873363) is 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one is COc1cc(C(C(=O)N2C[C@H](O)C[C@H]2c2nccn2Cc2nc(-c3ccccc3)no2)C(C)C)on1.
What is the InChIKey of 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one?
The InChIKey is KIIQWVFVVJMRMI-HVHHGIHYSA-N. The full InChI is InChI=1S/C25H28N6O5/c1-15(2)22(19-12-20(34-3)28-35-19)25(33)31-13-17(32)11-18(31)24-26-9-10-30(24)14-21-27-23(29-36-21)16-7-5-4-6-8-16/h4-10,12,15,17-18,22,32H,11,13-14H2,1-3H3/t17-,18+,22?/m1/s1.
What are the key properties of 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one?
1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one has a molecular weight of 492.54 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-hydroxy-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazol-2-yl]pyrrolidin-1-yl]-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutan-1-one is sourced from PubChem (CID 156873363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).