benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate

C23H20N4O5 — CID 86263841

IUPACbenzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C23H20N4O5/c28-20(14-24-23(29)31-15-16-7-2-1-3-8-16)25-18-10-5-4-9-17(18)13-21-26-22(27-32-21)19-11-6-12-30-19/h1-12H,13-15H2,(H,24,29)(H,25,28)
InChIKeyJMZCYMNNEQSCPH-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.79
Rot. Bonds8

About benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate

benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate (PubChem CID 86263841) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate
PubChem CID86263841
Molecular FormulaC23H20N4O5
Molecular Weight432.44 g/mol
Exact Mass432.14
IUPAC Namebenzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate
SMILESO=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C23H20N4O5/c28-20(14-24-23(29)31-15-16-7-2-1-3-8-16)25-18-10-5-4-9-17(18)13-21-26-22(27-32-21)19-11-6-12-30-19/h1-12H,13-15H2,(H,24,29)(H,25,28)
InChIKeyJMZCYMNNEQSCPH-UHFFFAOYSA-N
XLogP3.79
TPSA119.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate (CID 86263841) is benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate is O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1Cc1nc(-c2ccco2)no1.
What is the InChIKey of benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate?
The InChIKey is JMZCYMNNEQSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-20(14-24-23(29)31-15-16-7-2-1-3-8-16)25-18-10-5-4-9-17(18)13-21-26-22(27-32-21)19-11-6-12-30-19/h1-12H,13-15H2,(H,24,29)(H,25,28).
What are the key properties of benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate?
benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate has a molecular weight of 432.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 86263841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).