4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione

C15H16N4O4 — CID 72885182

IUPAC4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCOCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1
InChIInChI=1S/C15H16N4O4/c1-18-11-6-4-3-5-10(11)15(21)19(8-14(18)20)7-13-16-12(9-22-2)17-23-13/h3-6H,7-9H2,1-2H3
InChIKeyFJLISEWNKDCELD-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.83
Rot. Bonds4

About 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione

4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione (PubChem CID 72885182) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione
PubChem CID72885182
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione
SMILESCOCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1
InChIInChI=1S/C15H16N4O4/c1-18-11-6-4-3-5-10(11)15(21)19(8-14(18)20)7-13-16-12(9-22-2)17-23-13/h3-6H,7-9H2,1-2H3
InChIKeyFJLISEWNKDCELD-UHFFFAOYSA-N
XLogP0.83
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione (CID 72885182) is 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione is COCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1.
What is the InChIKey of 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione?
The InChIKey is FJLISEWNKDCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-18-11-6-4-3-5-10(11)15(21)19(8-14(18)20)7-13-16-12(9-22-2)17-23-13/h3-6H,7-9H2,1-2H3.
What are the key properties of 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione?
4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione has a molecular weight of 316.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-3H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 72885182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).