Skip to content

2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate

C24H23ClN2O3 — CID 123164771

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(=O)OCC(C)C
InChIInChI=1S/C24H23ClN2O3/c1-14(2)13-29-21(28)12-20-24-22(15(3)27-30-24)18-6-4-5-7-19(18)23(26-20)16-8-10-17(25)11-9-16/h4-11,14,20H,12-13H2,1-3H3
InChIKeyXZPNAORLNOQHAJ-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.78
Rot. Bonds5

About 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate

2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate (PubChem CID 123164771) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate
PubChem CID123164771
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate
SMILESCc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(=O)OCC(C)C
InChIInChI=1S/C24H23ClN2O3/c1-14(2)13-29-21(28)12-20-24-22(15(3)27-30-24)18-6-4-5-7-19(18)23(26-20)16-8-10-17(25)11-9-16/h4-11,14,20H,12-13H2,1-3H3
InChIKeyXZPNAORLNOQHAJ-UHFFFAOYSA-N
XLogP5.78
TPSA64.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate 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 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate (CID 123164771) is 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate is Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=NC2CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate?
The InChIKey is XZPNAORLNOQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-14(2)13-29-21(28)12-20-24-22(15(3)27-30-24)18-6-4-5-7-19(18)23(26-20)16-8-10-17(25)11-9-16/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate?
2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate has a molecular weight of 422.91 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetate is sourced from PubChem (CID 123164771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.