4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C23H25N3O6 — CID 70068534

IUPAC4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOc1ccc(-c2nc(COc3ccc(CC4COC(C)(C)N4C(=O)O)cc3)no2)cc1
InChIInChI=1S/C23H25N3O6/c1-23(2)26(22(27)28)17(13-31-23)12-15-4-8-19(9-5-15)30-14-20-24-21(32-25-20)16-6-10-18(29-3)11-7-16/h4-11,17H,12-14H2,1-3H3,(H,27,28)
InChIKeyQCVHOOSCUWMLAN-UHFFFAOYSA-N
MW439.47 g/mol
LogP3.98
Rot. Bonds7

About 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 70068534) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID70068534
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOc1ccc(-c2nc(COc3ccc(CC4COC(C)(C)N4C(=O)O)cc3)no2)cc1
InChIInChI=1S/C23H25N3O6/c1-23(2)26(22(27)28)17(13-31-23)12-15-4-8-19(9-5-15)30-14-20-24-21(32-25-20)16-6-10-18(29-3)11-7-16/h4-11,17H,12-14H2,1-3H3,(H,27,28)
InChIKeyQCVHOOSCUWMLAN-UHFFFAOYSA-N
XLogP3.98
TPSA107.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid with MolForge

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Related Compounds

2,2-dimethyl-4-[[4-[(3-nitrophenyl)methoxy]phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
CID 70067044
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
4-[[4-[[2-(benzenesulfonylmethyl)phenyl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 154451568
methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
(3S,4S)-1-ethoxycarbonyl-4-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 58977645
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
3-[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]-3-(1,2-oxazol-3-yl)propanoic acid
CID 67332600
[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 106484747
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-ethylbutanoate
CID 60562016
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55551240
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl (2S)-1-methylpiperidine-2-carboxylate
CID 95635741
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63844535

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 70068534) is 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is COc1ccc(-c2nc(COc3ccc(CC4COC(C)(C)N4C(=O)O)cc3)no2)cc1.
What is the InChIKey of 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is QCVHOOSCUWMLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-23(2)26(22(27)28)17(13-31-23)12-15-4-8-19(9-5-15)30-14-20-24-21(32-25-20)16-6-10-18(29-3)11-7-16/h4-11,17H,12-14H2,1-3H3,(H,27,28).
What are the key properties of 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 439.47 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 70068534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).