2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide

C18H24N4O3 — CID 56760717

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1nc(CN(C(=O)CN2CCOc3ccccc3C2)C(C)C)no1
InChIInChI=1S/C18H24N4O3/c1-13(2)22(11-17-19-14(3)25-20-17)18(23)12-21-8-9-24-16-7-5-4-6-15(16)10-21/h4-7,13H,8-12H2,1-3H3
InChIKeyRRLSTXNHOFSXGA-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.01
Rot. Bonds5

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 56760717) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide
PubChem CID56760717
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide
SMILESCc1nc(CN(C(=O)CN2CCOc3ccccc3C2)C(C)C)no1
InChIInChI=1S/C18H24N4O3/c1-13(2)22(11-17-19-14(3)25-20-17)18(23)12-21-8-9-24-16-7-5-4-6-15(16)10-21/h4-7,13H,8-12H2,1-3H3
InChIKeyRRLSTXNHOFSXGA-UHFFFAOYSA-N
XLogP2.01
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide 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-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide (CID 56760717) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide is Cc1nc(CN(C(=O)CN2CCOc3ccccc3C2)C(C)C)no1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is RRLSTXNHOFSXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)22(11-17-19-14(3)25-20-17)18(23)12-21-8-9-24-16-7-5-4-6-15(16)10-21/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 344.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56760717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).