methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate

C21H19ClN2O6 — CID 1044810

IUPACmethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25)
InChIKeyNILNIUDXLTZPOM-UHFFFAOYSA-N
MW430.84 g/mol
LogP4.36
Rot. Bonds6

About methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate

methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate (PubChem CID 1044810) has the molecular formula C21H19ClN2O6 and a molecular weight of 430.84 g/mol. Its IUPAC name is methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
PubChem CID1044810
Molecular FormulaC21H19ClN2O6
Molecular Weight430.84 g/mol
Exact Mass430.09
IUPAC Namemethyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25)
InChIKeyNILNIUDXLTZPOM-UHFFFAOYSA-N
XLogP4.36
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate (CID 1044810) is methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate?
The InChIKey is NILNIUDXLTZPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O6/c1-11-18(19(24-30-11)12-7-5-6-8-14(12)22)20(25)23-15-10-17(28-3)16(27-2)9-13(15)21(26)29-4/h5-10H,1-4H3,(H,23,25).
What are the key properties of methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate?
methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate has a molecular weight of 430.84 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4,5-dimethoxybenzoate is sourced from PubChem (CID 1044810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).