8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

C23H27N5O4 — CID 162869586

IUPAC8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCCC(NC(=O)c3ccc(C#N)cc3)CN(C)C(=O)C2)no1
InChIInChI=1S/C23H27N5O4/c1-15-10-20(27-32-15)13-25-22(30)18-4-3-5-19(14-28(2)21(29)11-18)26-23(31)17-8-6-16(12-24)7-9-17/h6-10,18-19H,3-5,11,13-14H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyNXBKZILDRGOKQX-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.92
Rot. Bonds5

About 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide

8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (PubChem CID 162869586) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.

Molecular Properties

Compound Name8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
PubChem CID162869586
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide
SMILESCc1cc(CNC(=O)C2CCCC(NC(=O)c3ccc(C#N)cc3)CN(C)C(=O)C2)no1
InChIInChI=1S/C23H27N5O4/c1-15-10-20(27-32-15)13-25-22(30)18-4-3-5-19(14-28(2)21(29)11-18)26-23(31)17-8-6-16(12-24)7-9-17/h6-10,18-19H,3-5,11,13-14H2,1-2H3,(H,25,30)(H,26,31)
InChIKeyNXBKZILDRGOKQX-UHFFFAOYSA-N
XLogP1.92
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide 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 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The IUPAC name of 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide (CID 162869586) is 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide.
What is the SMILES notation for 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The canonical SMILES for 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is Cc1cc(CNC(=O)C2CCCC(NC(=O)c3ccc(C#N)cc3)CN(C)C(=O)C2)no1.
What is the InChIKey of 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
The InChIKey is NXBKZILDRGOKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-10-20(27-32-15)13-25-22(30)18-4-3-5-19(14-28(2)21(29)11-18)26-23(31)17-8-6-16(12-24)7-9-17/h6-10,18-19H,3-5,11,13-14H2,1-2H3,(H,25,30)(H,26,31).
What are the key properties of 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide?
8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-cyanobenzoyl)amino]-1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxoazonane-4-carboxamide is sourced from PubChem (CID 162869586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).