3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine

C22H25N3O2 — CID 21285265

IUPAC3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
SMILESCOc1ccc(C2(Cn3ccnc3)CC(C)(c3ccccc3)ON2C)cc1
InChIInChI=1S/C22H25N3O2/c1-21(18-7-5-4-6-8-18)15-22(24(2)27-21,16-25-14-13-23-17-25)19-9-11-20(26-3)12-10-19/h4-14,17H,15-16H2,1-3H3
InChIKeyVQMRLXYDKSICTC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.97
Rot. Bonds5

About 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine

3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine (PubChem CID 21285265) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
PubChem CID21285265
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine
SMILESCOc1ccc(C2(Cn3ccnc3)CC(C)(c3ccccc3)ON2C)cc1
InChIInChI=1S/C22H25N3O2/c1-21(18-7-5-4-6-8-18)15-22(24(2)27-21,16-25-14-13-23-17-25)19-9-11-20(26-3)12-10-19/h4-14,17H,15-16H2,1-3H3
InChIKeyVQMRLXYDKSICTC-UHFFFAOYSA-N
XLogP3.97
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine 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

5-(3,4-dimethoxyphenyl)-3-(imidazol-1-ylmethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 14126012
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
[4-[[(2R,4R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-phenylmethanone
CID 54492013
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
[3-(4-chlorophenyl)-3-(imidazol-1-ylmethyl)-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 14326454
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
CID 12698934
4-[4-[[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1,2,4-triazole
CID 23460951
1-methoxy-4-(1,2,2-triphenylcyclopropyl)benzene
CID 12846254
1-[[2-[3-(4-methoxyphenyl)propyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518795
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
N-(2-imidazol-1-ylethyl)-3,3-dimethyl-1-phenylcyclobutane-1-carboxamide
CID 167796631

Frequently Asked Questions

What is the IUPAC name of 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine?
The IUPAC name of 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine (CID 21285265) is 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine is COc1ccc(C2(Cn3ccnc3)CC(C)(c3ccccc3)ON2C)cc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine?
The InChIKey is VQMRLXYDKSICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-21(18-7-5-4-6-8-18)15-22(24(2)27-21,16-25-14-13-23-17-25)19-9-11-20(26-3)12-10-19/h4-14,17H,15-16H2,1-3H3.
What are the key properties of 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine?
3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine has a molecular weight of 363.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-2,5-dimethyl-5-phenyl-1,2-oxazolidine is sourced from PubChem (CID 21285265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).