cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate

C17H20N4O4 — CID 72925955

IUPACcyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
SMILESCc1nnc(CNC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)o1
InChIInChI=1S/C17H20N4O4/c1-11-20-21-15(24-11)10-18-17(23)19-13-8-6-12(7-9-13)16(22)25-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H2,18,19,23)
InChIKeyWKTOMEUYYRZGKB-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.80
Rot. Bonds5

About cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate

cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate (PubChem CID 72925955) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namecyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
PubChem CID72925955
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Namecyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
SMILESCc1nnc(CNC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)o1
InChIInChI=1S/C17H20N4O4/c1-11-20-21-15(24-11)10-18-17(23)19-13-8-6-12(7-9-13)16(22)25-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H2,18,19,23)
InChIKeyWKTOMEUYYRZGKB-UHFFFAOYSA-N
XLogP2.80
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate?
The IUPAC name of cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate (CID 72925955) is cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate.
What is the SMILES notation for cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate?
The canonical SMILES for cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate is Cc1nnc(CNC(=O)Nc2ccc(C(=O)OC3CCCC3)cc2)o1.
What is the InChIKey of cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate?
The InChIKey is WKTOMEUYYRZGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11-20-21-15(24-11)10-18-17(23)19-13-8-6-12(7-9-13)16(22)25-14-4-2-3-5-14/h6-9,14H,2-5,10H2,1H3,(H2,18,19,23).
What are the key properties of cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate?
cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate has a molecular weight of 344.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate is sourced from PubChem (CID 72925955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).