2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid

C19H14Cl2N2O6 — CID 84552965

IUPAC2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c(C(=O)O)cc1OC
InChIInChI=1S/C19H14Cl2N2O6/c1-27-15-6-10(19(25)26)13(7-16(15)28-2)22-17(24)14-8-29-18(23-14)9-3-4-11(20)12(21)5-9/h3-8H,1-2H3,(H,22,24)(H,25,26)
InChIKeyUXKITAPCYBQLNB-UHFFFAOYSA-N
MW437.24 g/mol
LogP4.62
Rot. Bonds6

About 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid

2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid (PubChem CID 84552965) has the molecular formula C19H14Cl2N2O6 and a molecular weight of 437.24 g/mol. Its IUPAC name is 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
PubChem CID84552965
Molecular FormulaC19H14Cl2N2O6
Molecular Weight437.24 g/mol
Exact Mass436.02
IUPAC Name2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c(C(=O)O)cc1OC
InChIInChI=1S/C19H14Cl2N2O6/c1-27-15-6-10(19(25)26)13(7-16(15)28-2)22-17(24)14-8-29-18(23-14)9-3-4-11(20)12(21)5-9/h3-8H,1-2H3,(H,22,24)(H,25,26)
InChIKeyUXKITAPCYBQLNB-UHFFFAOYSA-N
XLogP4.62
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.24
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
2-(3,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552904
2-[(3,4-dichlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16776960
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
2-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 84552881
2-(3,4-dichlorophenyl)-N-(3,4-diethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 84552982
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552922
2-(3,4-dichlorophenyl)-N-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 84552918
N-(4-carbamoylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552776
(2-phenyl-1,3-oxazol-4-yl)methyl 2-[(2-chlorobenzoyl)amino]-4,5-dimethoxybenzoate
CID 42986911
N-(2-cyanophenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552909
2-(3,4-dichlorophenyl)-N-(2-methyl-5-nitrophenyl)-1,3-oxazole-4-carboxamide
CID 84552907

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid (CID 84552965) is 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)c2coc(-c3ccc(Cl)c(Cl)c3)n2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid?
The InChIKey is UXKITAPCYBQLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O6/c1-27-15-6-10(19(25)26)13(7-16(15)28-2)22-17(24)14-8-29-18(23-14)9-3-4-11(20)12(21)5-9/h3-8H,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid?
2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid has a molecular weight of 437.24 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichlorophenyl)-1,3-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 84552965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).