5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine

C22H25N3O3 — CID 14126012

IUPAC5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCOc1ccc(C2CC(Cn3ccnc3)(c3ccccc3)N(C)O2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-24-22(15-25-12-11-23-16-25,18-7-5-4-6-8-18)14-21(28-24)17-9-10-19(26-2)20(13-17)27-3/h4-13,16,21H,14-15H2,1-3H3
InChIKeyWERNYUNPUKCNJA-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.80
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine

5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine (PubChem CID 14126012) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
PubChem CID14126012
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
SMILESCOc1ccc(C2CC(Cn3ccnc3)(c3ccccc3)N(C)O2)cc1OC
InChIInChI=1S/C22H25N3O3/c1-24-22(15-25-12-11-23-16-25,18-7-5-4-6-8-18)14-21(28-24)17-9-10-19(26-2)20(13-17)27-3/h4-13,16,21H,14-15H2,1-3H3
InChIKeyWERNYUNPUKCNJA-UHFFFAOYSA-N
XLogP3.80
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
CID 21285265
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
N-[1-[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]ethylidene]hydroxylamine
CID 86742471
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
3-(4-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-oxazolidine
CID 14200000
1-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4898734
trans-diethyl (2R,4S)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3,3-diphenylcyclopentane-1,1-dicarboxylate
CID 132571858
2,5-bis(3,4-dimethoxyphenyl)oxolane
CID 13491508
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
1-[[1-(4-chlorophenyl)-2-(4-phenylphenyl)cyclopropyl]methyl]imidazole
CID 13326948
1-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine (CID 14126012) is 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine is COc1ccc(C2CC(Cn3ccnc3)(c3ccccc3)N(C)O2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
The InChIKey is WERNYUNPUKCNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-24-22(15-25-12-11-23-16-25,18-7-5-4-6-8-18)14-21(28-24)17-9-10-19(26-2)20(13-17)27-3/h4-13,16,21H,14-15H2,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine?
5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine has a molecular weight of 379.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 14126012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).