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

C17H17ClN2O5 — CID 1197474

IUPACmethyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)COc2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C17H17ClN2O5/c1-23-17(22)14-9-25-15(19-14)8-20(12-4-5-12)16(21)10-24-13-6-2-11(18)3-7-13/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeySXAAUXNRIVXEHE-UHFFFAOYSA-N
MW364.79 g/mol
LogP2.68
Rot. Bonds7

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

methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate (PubChem CID 1197474) has the molecular formula C17H17ClN2O5 and a molecular weight of 364.79 g/mol. Its IUPAC name is methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
PubChem CID1197474
Molecular FormulaC17H17ClN2O5
Molecular Weight364.79 g/mol
Exact Mass364.08
IUPAC Namemethyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1coc(CN(C(=O)COc2ccc(Cl)cc2)C2CC2)n1
InChIInChI=1S/C17H17ClN2O5/c1-23-17(22)14-9-25-15(19-14)8-20(12-4-5-12)16(21)10-24-13-6-2-11(18)3-7-13/h2-3,6-7,9,12H,4-5,8,10H2,1H3
InChIKeySXAAUXNRIVXEHE-UHFFFAOYSA-N
XLogP2.68
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

methyl 2-[[[2-(4-chlorophenoxy)acetyl]-(2-methoxyethyl)amino]methyl]-1,3-oxazole-4-carboxylate
CID 3458352
methyl 2-[[cyclopropyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1196367
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate
CID 4319931
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(4-propoxyphenoxy)acetamide
CID 55332851
methyl 4-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoate
CID 9019563
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
methyl 2-[[cyclohexyl-[(2-ethoxyphenyl)carbamoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197711
methyl 4-[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]benzoate
CID 52684721
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-methoxyphenoxy)acetamide
CID 55594655
methyl 2-[[(2-chloro-4-nitrobenzoyl)-cyclohexylamino]methyl]-1,3-oxazole-4-carboxylate
CID 42766600
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 43889677
methyl 2-[[cyclopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]-1,3-oxazole-4-carboxylate
CID 1197485

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate (CID 1197474) is methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate is COC(=O)c1coc(CN(C(=O)COc2ccc(Cl)cc2)C2CC2)n1.
What is the InChIKey of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SXAAUXNRIVXEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5/c1-23-17(22)14-9-25-15(19-14)8-20(12-4-5-12)16(21)10-24-13-6-2-11(18)3-7-13/h2-3,6-7,9,12H,4-5,8,10H2,1H3.
What are the key properties of methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate?
methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 364.79 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-(4-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 1197474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).