methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate

C16H16N4O5 — CID 45493956

IUPACmethyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NC2CC2)n1
InChIInChI=1S/C16H16N4O5/c1-24-16(23)10-4-2-3-5-11(10)18-13(21)8-12-19-15(25-20-12)14(22)17-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,22)(H,18,21)
InChIKeyOPUWDWHLLSXRAK-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.93
Rot. Bonds6

About methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate

methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate (PubChem CID 45493956) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
PubChem CID45493956
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Namemethyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NC2CC2)n1
InChIInChI=1S/C16H16N4O5/c1-24-16(23)10-4-2-3-5-11(10)18-13(21)8-12-19-15(25-20-12)14(22)17-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,22)(H,18,21)
InChIKeyOPUWDWHLLSXRAK-UHFFFAOYSA-N
XLogP0.93
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[[2-[5-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
CID 45495869
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
CID 45495257
methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
CID 112999833
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633
methyl 2-(cyclopropylamino)benzoate
CID 83697867
N-cyclopropyl-2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]benzamide
CID 7944484
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
methyl 2-[[2-[5-(furan-2-yl)-1,2-oxazol-3-yl]acetyl]amino]benzoate
CID 30850547
2-(butanoylamino)-N-cyclopropylbenzamide
CID 31824279
N-cyclohexyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 17320235
N-cyclopropyl-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 34324340
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 16519219

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate (CID 45493956) is methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1noc(C(=O)NC2CC2)n1.
What is the InChIKey of methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
The InChIKey is OPUWDWHLLSXRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-24-16(23)10-4-2-3-5-11(10)18-13(21)8-12-19-15(25-20-12)14(22)17-9-6-7-9/h2-5,9H,6-8H2,1H3,(H,17,22)(H,18,21).
What are the key properties of methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate?
methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate has a molecular weight of 344.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate is sourced from PubChem (CID 45493956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).