[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone

C24H21N5O4 — CID 58714514

IUPAC[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESCON=C1C[C@@H](c2nc(-c3cc(C)on3)no2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H21N5O4/c1-15-12-20(27-32-15)22-25-23(33-28-22)21-13-19(26-31-2)14-29(21)24(30)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyRWPACKAPRHJJQL-NRFANRHFSA-N
MW443.46 g/mol
LogP4.29
Rot. Bonds5

About [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone

[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 58714514) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone
PubChem CID58714514
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone
SMILESCON=C1C[C@@H](c2nc(-c3cc(C)on3)no2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C24H21N5O4/c1-15-12-20(27-32-15)22-25-23(33-28-22)21-13-19(26-31-2)14-29(21)24(30)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12,21H,13-14H2,1-2H3/t21-/m0/s1
InChIKeyRWPACKAPRHJJQL-NRFANRHFSA-N
XLogP4.29
TPSA106.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone (CID 58714514) is [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone is CON=C1C[C@@H](c2nc(-c3cc(C)on3)no2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is RWPACKAPRHJJQL-NRFANRHFSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-15-12-20(27-32-15)22-25-23(33-28-22)21-13-19(26-31-2)14-29(21)24(30)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-12,21H,13-14H2,1-2H3/t21-/m0/s1.
What are the key properties of [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone?
[(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 443.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methoxyimino-2-[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 58714514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).