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

C14H14N4O3 — CID 72940581

IUPAC1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione
SMILESCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1
InChIInChI=1S/C14H14N4O3/c1-9-15-12(21-16-9)7-18-8-13(19)17(2)11-6-4-3-5-10(11)14(18)20/h3-6H,7-8H2,1-2H3
InChIKeyHQKKVWYLUDVGKD-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.00
Rot. Bonds2

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

1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione (PubChem CID 72940581) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione
PubChem CID72940581
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione
SMILESCc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1
InChIInChI=1S/C14H14N4O3/c1-9-15-12(21-16-9)7-18-8-13(19)17(2)11-6-4-3-5-10(11)14(18)20/h3-6H,7-8H2,1-2H3
InChIKeyHQKKVWYLUDVGKD-UHFFFAOYSA-N
XLogP1.00
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-({Methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino}methyl)-3,4-dihydroquinazolin-4-one
CID 135570331
2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16022719
N-(2,4-Difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-YL)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-YL}acetamide
CID 16022727
7-Fluoro-3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17509149
3-[[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 17511505
1-((3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3-isopropylquinazoline-2,4(1H,3H)-dione
CID 30850222
6-Chloro-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 36312255
N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 47077683
N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47077684
2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077686
(3-Methylpiperidin-1-yl)-[3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
CID 47081263
[3-Methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 47081265

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione (CID 72940581) is 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione is Cc1noc(CN2CC(=O)N(C)c3ccccc3C2=O)n1.
What is the InChIKey of 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione?
The InChIKey is HQKKVWYLUDVGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-15-12(21-16-9)7-18-8-13(19)17(2)11-6-4-3-5-10(11)14(18)20/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione?
1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione has a molecular weight of 286.29 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 72940581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).