1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one

C13H12N2O2 — CID 67990146

IUPAC1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one
SMILESCc1noc2c1-c1ccccc1C(=O)NC2C
InChIInChI=1S/C13H12N2O2/c1-7-11-9-5-3-4-6-10(9)13(16)14-8(2)12(11)17-15-7/h3-6,8H,1-2H3,(H,14,16)
InChIKeyHPPPKKQTWJKSCC-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.45
Rot. Bonds

About 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one

1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one (PubChem CID 67990146) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one.

Molecular Properties

Compound Name1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one
PubChem CID67990146
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one
SMILESCc1noc2c1-c1ccccc1C(=O)NC2C
InChIInChI=1S/C13H12N2O2/c1-7-11-9-5-3-4-6-10(9)13(16)14-8(2)12(11)17-15-7/h3-6,8H,1-2H3,(H,14,16)
InChIKeyHPPPKKQTWJKSCC-UHFFFAOYSA-N
XLogP2.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one?
The IUPAC name of 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one (CID 67990146) is 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one.
What is the SMILES notation for 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one?
The canonical SMILES for 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one is Cc1noc2c1-c1ccccc1C(=O)NC2C.
What is the InChIKey of 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one?
The InChIKey is HPPPKKQTWJKSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-7-11-9-5-3-4-6-10(9)13(16)14-8(2)12(11)17-15-7/h3-6,8H,1-2H3,(H,14,16).
What are the key properties of 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one?
1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one has a molecular weight of 228.25 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4,5-dihydro-[1,2]oxazolo[5,4-d][2]benzazepin-6-one is sourced from PubChem (CID 67990146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).