[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate

C15H16N2O6 — CID 7561076

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H16N2O6/c1-9-6-13(17-23-9)16-14(18)8-22-15(19)11-7-10(20-2)4-5-12(11)21-3/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyDSWPYBPELYORPD-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.80
Rot. Bonds6

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

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate (PubChem CID 7561076) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
PubChem CID7561076
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
SMILESCOc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C15H16N2O6/c1-9-6-13(17-23-9)16-14(18)8-22-15(19)11-7-10(20-2)4-5-12(11)21-3/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyDSWPYBPELYORPD-UHFFFAOYSA-N
XLogP1.80
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 4848044
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
[2-(3-methoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586721
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561154
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561072
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-iodobenzoate
CID 5149355
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2,5-dimethoxybenzoate
CID 7586714
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 18197384
2,4-dimethoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 670331
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7487592
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2542383
N-(2,4-dimethoxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 863139

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate (CID 7561076) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate is COc1ccc(OC)c(C(=O)OCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
The InChIKey is DSWPYBPELYORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-9-6-13(17-23-9)16-14(18)8-22-15(19)11-7-10(20-2)4-5-12(11)21-3/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate has a molecular weight of 320.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate is sourced from PubChem (CID 7561076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).