methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate

C26H23NO4 — CID 142703451

IUPACmethyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3C)on2)cc1OC
InChIInChI=1S/C26H23NO4/c1-16-17(2)21(13-12-20(16)18-8-6-5-7-9-18)25-15-23(27-31-25)19-10-11-22(26(28)30-4)24(14-19)29-3/h5-15H,1-4H3
InChIKeyFTOZSBGXZSFXME-UHFFFAOYSA-N
MW413.47 g/mol
LogP6.09
Rot. Bonds5

About methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate

methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate (PubChem CID 142703451) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
PubChem CID142703451
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Namemethyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3C)on2)cc1OC
InChIInChI=1S/C26H23NO4/c1-16-17(2)21(13-12-20(16)18-8-6-5-7-9-18)25-15-23(27-31-25)19-10-11-22(26(28)30-4)24(14-19)29-3/h5-15H,1-4H3
InChIKeyFTOZSBGXZSFXME-UHFFFAOYSA-N
XLogP6.09
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-phenyl-1,2-oxazol-5-yl)benzoate
CID 12789637
N-[(2,4-dimethoxyphenyl)methyl]-4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzamide
CID 142703431
4-[5-(2,6-dimethoxy-3-methyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-fluorobenzoic acid
CID 142703448
2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]benzamide
CID 142703568
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
4-[2-fluoro-4-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenoxy]butanoic acid
CID 142703542
2-[2-[3-[5-[2-(methoxymethyl)-3-methyl-4-phenylphenyl]-1,2-oxazol-3-yl]phenyl]ethylamino]ethanol
CID 142703485
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
methyl 5-methyl-2-phenylbenzoate;5-methyl-2-phenylbenzoic acid
CID 70270036
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)benzoic acid;methyl 2-bromo-5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]benzoate
CID 159478039

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate (CID 142703451) is methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate is COC(=O)c1ccc(-c2cc(-c3ccc(-c4ccccc4)c(C)c3C)on2)cc1OC.
What is the InChIKey of methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate?
The InChIKey is FTOZSBGXZSFXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c1-16-17(2)21(13-12-20(16)18-8-6-5-7-9-18)25-15-23(27-31-25)19-10-11-22(26(28)30-4)24(14-19)29-3/h5-15H,1-4H3.
What are the key properties of methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate?
methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate has a molecular weight of 413.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(2,3-dimethyl-4-phenylphenyl)-1,2-oxazol-3-yl]-2-methoxybenzoate is sourced from PubChem (CID 142703451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).