[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H18N2O6 — CID 2682099

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H18N2O6/c1-9-15(10(2)24-18-9)16(20)23-8-14(19)17-12-7-11(21-3)5-6-13(12)22-4/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeySLBOWYAYLHXZRT-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.10
Rot. Bonds6

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2682099) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2682099
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H18N2O6/c1-9-15(10(2)24-18-9)16(20)23-8-14(19)17-12-7-11(21-3)5-6-13(12)22-4/h5-7H,8H2,1-4H3,(H,17,19)
InChIKeySLBOWYAYLHXZRT-UHFFFAOYSA-N
XLogP2.10
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-Methoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681597
[1-(1,3-Benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4032784
[2-(1,3-Benzodioxol-5-ylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790440
[2-(3-Methylanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660567
[1-(1,3-Benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16305627
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4801474
[2-(4-Methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 5243996
N-(2,5-dimethoxyphenyl)-2-{[5-(4-fluorophenyl)isoxazol-3-yl]methoxy}acetamide
CID 16020707
[1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24688051
Ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
2-(2-Methoxybenzamido)-2-oxoethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 24856168
[2-(2,5-Diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4854269

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2682099) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is COc1ccc(OC)c(NC(=O)COC(=O)c2c(C)noc2C)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is SLBOWYAYLHXZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-9-15(10(2)24-18-9)16(20)23-8-14(19)17-12-7-11(21-3)5-6-13(12)22-4/h5-7H,8H2,1-4H3,(H,17,19).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2682099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).