5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide

C23H21N5O3 — CID 130299110

IUPAC5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3ccccc3)on2)CCn2c1nc1ccccc12
InChIInChI=1S/C23H21N5O3/c1-27-22(30)18(11-12-28-20-10-6-5-9-17(20)25-23(27)28)24-21(29)19-14-16(31-26-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,24,29)
InChIKeyWQSJGKUHUMFYCU-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.78
Rot. Bonds4

About 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide

5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 130299110) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID130299110
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCN1C(=O)C(NC(=O)c2cc(Cc3ccccc3)on2)CCn2c1nc1ccccc12
InChIInChI=1S/C23H21N5O3/c1-27-22(30)18(11-12-28-20-10-6-5-9-17(20)25-23(27)28)24-21(29)19-14-16(31-26-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,24,29)
InChIKeyWQSJGKUHUMFYCU-UHFFFAOYSA-N
XLogP2.78
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

5-benzyl-N-(5-fluoro-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl)-1,2-oxazole-3-carboxamide
CID 130299194
5-benzyl-N-[(3R)-5-methyl-1,1,4-trioxo-2,3-dihydro-1λ6,5-benzothiazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 90345421
5-benzyl-N-[(3S)-1-methyl-2-oxo-3,4-dihydropyrido[3,2-g][1,5]benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide;methane
CID 159861752
5-benzyl-N-[(3S)-6-fluoro-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557299
5-benzyl-N-[(3S)-5-methyl-7-methylsulfonyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 118557307
N-[(1aS,2S,8bR)-4-methyl-3-oxo-1,1a,2,8b-tetrahydrocyclopropa[d][1]benzazepin-2-yl]-5-benzyl-1,2-oxazole-3-carboxamide
CID 130313892
N-[(3R)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl]-5-[(4-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 138742010
1,3-dimethyl-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-2-one;ethane
CID 145225527
4-amino-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 103827378
3-[(5-benzyl-1,2-oxazole-3-carbonyl)amino]-5-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,5-benzoxazepine-7-carboxamide
CID 118557569
N-[(3S)-7-acetamido-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-benzyl-1,2-oxazole-3-carboxamide;acetyl chloride;N-[(3S)-7-amino-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-benzyl-1,2-oxazole-3-carboxamide
CID 159935582
N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide (CID 130299110) is 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide is CN1C(=O)C(NC(=O)c2cc(Cc3ccccc3)on2)CCn2c1nc1ccccc12.
What is the InChIKey of 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is WQSJGKUHUMFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-27-22(30)18(11-12-28-20-10-6-5-9-17(20)25-23(27)28)24-21(29)19-14-16(31-26-19)13-15-7-3-2-4-8-15/h2-10,14,18H,11-13H2,1H3,(H,24,29).
What are the key properties of 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide?
5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(1-methyl-2-oxo-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130299110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).