7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one

C13H14N2O4 — CID 155445521

IUPAC7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one
SMILESCOc1cc2c(cc1OC)C(=O)N1COCC1C=N2
InChIInChI=1S/C13H14N2O4/c1-17-11-3-9-10(4-12(11)18-2)14-5-8-6-19-7-15(8)13(9)16/h3-5,8H,6-7H2,1-2H3
InChIKeyREBNHMBHUBNYRR-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.22
Rot. Bonds2

About 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one

7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one (PubChem CID 155445521) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one.

Molecular Properties

Compound Name7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one
PubChem CID155445521
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one
SMILESCOc1cc2c(cc1OC)C(=O)N1COCC1C=N2
InChIInChI=1S/C13H14N2O4/c1-17-11-3-9-10(4-12(11)18-2)14-5-8-6-19-7-15(8)13(9)16/h3-5,8H,6-7H2,1-2H3
InChIKeyREBNHMBHUBNYRR-UHFFFAOYSA-N
XLogP1.22
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-propan-2-yloxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 118151487
3-ethoxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 20826871
2-methoxy-3-[(2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxymethoxy]-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 20613233
(12aS)-8,9-dimethoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one
CID 90260204
(6aS,8S)-3-[3-[[(6aS,8S)-8-hydroxy-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 158501141
3-[5-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 145288068
(6aS)-3-[[3-[[(6aS)-2-methoxy-8-methylidene-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxymethyl]-5-(bromomethyl)phenyl]methoxy]-2-methoxy-8-methylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 153286514
2-methoxy-8-methylidene-3-propoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 77427552
(6aS)-3-[3-[[(6aS)-8-(difluoromethylidene)-2-methoxy-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-8-(difluoromethylidene)-2-methoxy-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 11399432
8-ethyl-3-hydroxy-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 143515811
3-[[3-(bromomethyl)-5-[(2-methoxy-14-oxo-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-3-yl)oxymethyl]phenyl]methoxy]-2-methoxy-7,12-dihydro-6aH-isoquinolino[3,2-c][1,4]benzodiazepin-14-one
CID 162524703
(6aS)-3-ethoxy-2-methoxy-8-methyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
CID 122489118

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one?
The IUPAC name of 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one (CID 155445521) is 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one.
What is the SMILES notation for 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one?
The canonical SMILES for 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one is COc1cc2c(cc1OC)C(=O)N1COCC1C=N2.
What is the InChIKey of 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one?
The InChIKey is REBNHMBHUBNYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-11-3-9-10(4-12(11)18-2)14-5-8-6-19-7-15(8)13(9)16/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one?
7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one has a molecular weight of 262.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-3,3a-dihydro-1H-[1,3]oxazolo[4,3-c][1,4]benzodiazepin-10-one is sourced from PubChem (CID 155445521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).