cis-3,5-Bis(4-methoxyphenyl)-3-(1H-imidozol-1-ylmethyl)-2-methylisoxazoline

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Basic information

CAS: 113614-44-1
Standard SMILES: COc1ccc([C@@H]2C[C@@](Cn3ccnc3)(c3ccc(OC)cc3)N(C)O2)cc1
InChIKey: CNYROMOXLMPVQK-FCHUYYIVSA-N
Molecular formula: C22H25N3O3
Average molar mass: 379.5 g/mol
Monoisotopic mass: 379.18959167

Names & identifiers

Preferred name: cis-3,5-Bis(4-methoxyphenyl)-3-(1H-imidozol-1-ylmethyl)-2-methylisoxazoline
IUPAC: (3S,5S)-3-(imidazol-1-ylmethyl)-3,5-bis(4-methoxyphenyl)-2-methyl-1,2-oxazolidine

Names & synonyms

cis-3,5-Bis(4-methoxyphenyl)-3-(1H-imidozol-1-ylmethyl)-2-methylisoxazoline113614-44-1CHEMBL62041DTXSID20150490(3S,5S)-3-(imidazol-1-ylmethyl)-3,5-bis(4-methoxyphenyl)-2-methyl-isoxazolidine(3S,5S)-3-[(1H-Imidazol-1-yl)methyl]-3,5-bis(4-methoxyphenyl)-2-methyl-1,2-oxazolidine

Database identifiers

CAS: 113614-44-1
PubChem CID: 516648
DTXSID: DTXSID20150490
ChEMBL: CHEMBL62041

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 48.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 491

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Compound notes

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