N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide

C22H18N2O4 — CID 118557220

IUPACN-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
SMILESO=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyAWXYMMISTIIAIH-IBGZPJMESA-N
MW374.40 g/mol
LogP3.61
Rot. Bonds4

About N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide

N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide (PubChem CID 118557220) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
PubChem CID118557220
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide
SMILESO=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKeyAWXYMMISTIIAIH-IBGZPJMESA-N
XLogP3.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide 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 N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide?
The IUPAC name of N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide (CID 118557220) is N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide.
What is the SMILES notation for N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide?
The canonical SMILES for N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide is O=C(N[C@H]1COc2ccccc2NC1=O)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide?
The InChIKey is AWXYMMISTIIAIH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H18N2O4/c25-21(15-7-6-10-17(13-15)28-16-8-2-1-3-9-16)24-19-14-27-20-12-5-4-11-18(20)23-22(19)26/h1-13,19H,14H2,(H,23,26)(H,24,25)/t19-/m0/s1.
What are the key properties of N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide?
N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-3-phenoxybenzamide is sourced from PubChem (CID 118557220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).