methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

C17H19ClN2O6 — CID 3458352

IUPACmethyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O6/c1-23-8-7-20(9-15-19-14(10-26-15)17(22)24-2)16(21)11-25-13-5-3-12(18)4-6-13/h3-6,10H,7-9,11H2,1-2H3
InChIKeyDUNFKXRANMEHPY-UHFFFAOYSA-N
MW382.80 g/mol
LogP2.17
Rot. Bonds9

About methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate

methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 3458352) has the molecular formula C17H19ClN2O6 and a molecular weight of 382.80 g/mol. Its IUPAC name is methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID3458352
Molecular FormulaC17H19ClN2O6
Molecular Weight382.80 g/mol
Exact Mass382.09
IUPAC Namemethyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOCCN(Cc1nc(C(=O)OC)co1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O6/c1-23-8-7-20(9-15-19-14(10-26-15)17(22)24-2)16(21)11-25-13-5-3-12(18)4-6-13/h3-6,10H,7-9,11H2,1-2H3
InChIKeyDUNFKXRANMEHPY-UHFFFAOYSA-N
XLogP2.17
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.80
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197474
methyl 2-[[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4997781
methyl 2-[[butanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3434185
methyl 2-[[(2,4-dimethoxybenzoyl)-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 42766659
methyl 2-[[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4265422
2-[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768959
methyl 2-[[(2,4-dichlorobenzoyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 1197455
methyl 2-[[(2-phenylmethoxyacetyl)-propylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4237865
methyl 2-[[[3,5-bis(trifluoromethyl)benzoyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3307425
methyl 2-[[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4030458
methyl 2-[[3,3-dimethylbutanoyl(propyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 5138437
methyl 2-[[(4-ethylbenzoyl)-(3-methoxypropyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 4538081

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate (CID 3458352) is methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is COCCN(Cc1nc(C(=O)OC)co1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is DUNFKXRANMEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O6/c1-23-8-7-20(9-15-19-14(10-26-15)17(22)24-2)16(21)11-25-13-5-3-12(18)4-6-13/h3-6,10H,7-9,11H2,1-2H3.
What are the key properties of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 382.80 g/mol, XLogP of 2.17, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 3458352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).