4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide

C24H28N4O2 — CID 23769406

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide
SMILESCc1noc(C)c1CN1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-18-22(19(2)30-26-18)17-27-13-8-14-28(16-15-27)24(29)25-23-12-7-6-11-21(23)20-9-4-3-5-10-20/h3-7,9-12H,8,13-17H2,1-2H3,(H,25,29)
InChIKeyUSZMHJYQMJZYGN-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.70
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide (PubChem CID 23769406) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide
PubChem CID23769406
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide
SMILESCc1noc(C)c1CN1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O2/c1-18-22(19(2)30-26-18)17-27-13-8-14-28(16-15-27)24(29)25-23-12-7-6-11-21(23)20-9-4-3-5-10-20/h3-7,9-12H,8,13-17H2,1-2H3,(H,25,29)
InChIKeyUSZMHJYQMJZYGN-UHFFFAOYSA-N
XLogP4.70
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
CID 3341231
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(1-phenylcyclopropyl)methanone
CID 75527459
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide
CID 3873381
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 47022600
4-ethyl-N-(2-pyridin-4-ylphenyl)-1,4-diazepane-1-carboxamide
CID 75441981
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]fluoren-9-one
CID 23993807
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110646579
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3,4-dimethylphenyl)methanone
CID 110646601
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110646586
[4-anilino-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873936
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 60508151

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide (CID 23769406) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide is Cc1noc(C)c1CN1CCCN(C(=O)Nc2ccccc2-c2ccccc2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide?
The InChIKey is USZMHJYQMJZYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-18-22(19(2)30-26-18)17-27-13-8-14-28(16-15-27)24(29)25-23-12-7-6-11-21(23)20-9-4-3-5-10-20/h3-7,9-12H,8,13-17H2,1-2H3,(H,25,29).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylphenyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 23769406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).