8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C24H20N4O3 — CID 166188400

IUPAC8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCC(C)(c1noc(-c2ccc3c(c2)NC(=O)CNC3=O)n1)c1cccc2ccccc12
InChIInChI=1S/C24H20N4O3/c1-24(2,18-9-5-7-14-6-3-4-8-16(14)18)23-27-22(31-28-23)15-10-11-17-19(12-15)26-20(29)13-25-21(17)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyGZANDJVNWZQDTP-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.90
Rot. Bonds3

About 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 166188400) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID166188400
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESCC(C)(c1noc(-c2ccc3c(c2)NC(=O)CNC3=O)n1)c1cccc2ccccc12
InChIInChI=1S/C24H20N4O3/c1-24(2,18-9-5-7-14-6-3-4-8-16(14)18)23-27-22(31-28-23)15-10-11-17-19(12-15)26-20(29)13-25-21(17)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyGZANDJVNWZQDTP-UHFFFAOYSA-N
XLogP3.90
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 166188400) is 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is CC(C)(c1noc(-c2ccc3c(c2)NC(=O)CNC3=O)n1)c1cccc2ccccc12.
What is the InChIKey of 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is GZANDJVNWZQDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-24(2,18-9-5-7-14-6-3-4-8-16(14)18)23-27-22(31-28-23)15-10-11-17-19(12-15)26-20(29)13-25-21(17)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 412.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-naphthalen-1-ylpropan-2-yl)-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 166188400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).