1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one

C19H21N3O3 — CID 90320895

IUPAC1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1N=C(N2CCOCC2)c2ccccc2-c2c(C)noc21
InChIInChI=1S/C19H21N3O3/c1-12(23)11-16-18-17(13(2)21-25-18)14-5-3-4-6-15(14)19(20-16)22-7-9-24-10-8-22/h3-6,16H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyLUCPCCRYVSXCLQ-INIZCTEOSA-N
MW339.39 g/mol
LogP2.76
Rot. Bonds2

About 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one

1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one (PubChem CID 90320895) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one
PubChem CID90320895
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one
SMILESCC(=O)C[C@@H]1N=C(N2CCOCC2)c2ccccc2-c2c(C)noc21
InChIInChI=1S/C19H21N3O3/c1-12(23)11-16-18-17(13(2)21-25-18)14-5-3-4-6-15(14)19(20-16)22-7-9-24-10-8-22/h3-6,16H,7-11H2,1-2H3/t16-/m0/s1
InChIKeyLUCPCCRYVSXCLQ-INIZCTEOSA-N
XLogP2.76
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one?
The IUPAC name of 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one (CID 90320895) is 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one.
What is the SMILES notation for 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one?
The canonical SMILES for 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one is CC(=O)C[C@@H]1N=C(N2CCOCC2)c2ccccc2-c2c(C)noc21.
What is the InChIKey of 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one?
The InChIKey is LUCPCCRYVSXCLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(23)11-16-18-17(13(2)21-25-18)14-5-3-4-6-15(14)19(20-16)22-7-9-24-10-8-22/h3-6,16H,7-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one?
1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one has a molecular weight of 339.39 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-methyl-6-morpholin-4-yl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]propan-2-one is sourced from PubChem (CID 90320895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).