methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate

C26H21ClN2O6 — CID 100514052

IUPACmethyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C26H21ClN2O6/c1-32-21-12-19(26(31)34-3)20(13-22(21)33-2)29-24(30)17-6-4-5-7-18(17)25-28-14-23(35-25)15-8-10-16(27)11-9-15/h4-14H,1-3H3,(H,29,30)
InChIKeyAGVRNSQXSMSUFY-UHFFFAOYSA-N
MW492.92 g/mol
LogP5.72
Rot. Bonds7

About methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate (PubChem CID 100514052) has the molecular formula C26H21ClN2O6 and a molecular weight of 492.92 g/mol. Its IUPAC name is methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
PubChem CID100514052
Molecular FormulaC26H21ClN2O6
Molecular Weight492.92 g/mol
Exact Mass492.11
IUPAC Namemethyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C26H21ClN2O6/c1-32-21-12-19(26(31)34-3)20(13-22(21)33-2)29-24(30)17-6-4-5-7-18(17)25-28-14-23(35-25)15-8-10-16(27)11-9-15/h4-14H,1-3H3,(H,29,30)
InChIKeyAGVRNSQXSMSUFY-UHFFFAOYSA-N
XLogP5.72
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.92
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100503547
N-(5-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502448
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502310
N-(2,5-dichlorophenyl)-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100505980
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
N-(2,3-dimethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502178
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]benzamide
CID 100506441
N-(2,3-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500618
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-cyclopropylbenzamide
CID 100512478
N-(3,5-dichlorophenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500666
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100508362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate (CID 100514052) is methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is AGVRNSQXSMSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O6/c1-32-21-12-19(26(31)34-3)20(13-22(21)33-2)29-24(30)17-6-4-5-7-18(17)25-28-14-23(35-25)15-8-10-16(27)11-9-15/h4-14H,1-3H3,(H,29,30).
What are the key properties of methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 492.92 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzoyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 100514052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).