N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide

C27H28N4O5 — CID 10458209

IUPACN-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide
SMILESCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1NC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C27H28N4O5/c1-35-23-13-12-20(17-21(23)30-27(33)28-15-7-3-6-10-25(32)31-34)26-29-22-16-19(11-14-24(22)36-26)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16-17,34H,3,6-7,10,15H2,1H3,(H,31,32)(H2,28,30,33)
InChIKeyCOPYYPGWXUZUCV-UHFFFAOYSA-N
MW488.54 g/mol
LogP5.36
Rot. Bonds10

About N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide

N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide (PubChem CID 10458209) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide
PubChem CID10458209
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC NameN-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide
SMILESCOc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1NC(=O)NCCCCCC(=O)NO
InChIInChI=1S/C27H28N4O5/c1-35-23-13-12-20(17-21(23)30-27(33)28-15-7-3-6-10-25(32)31-34)26-29-22-16-19(11-14-24(22)36-26)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16-17,34H,3,6-7,10,15H2,1H3,(H,31,32)(H2,28,30,33)
InChIKeyCOPYYPGWXUZUCV-UHFFFAOYSA-N
XLogP5.36
TPSA125.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.54
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide 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-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide?
The IUPAC name of N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide (CID 10458209) is N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide.
What is the SMILES notation for N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide?
The canonical SMILES for N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide is COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1NC(=O)NCCCCCC(=O)NO.
What is the InChIKey of N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide?
The InChIKey is COPYYPGWXUZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-35-23-13-12-20(17-21(23)30-27(33)28-15-7-3-6-10-25(32)31-34)26-29-22-16-19(11-14-24(22)36-26)18-8-4-2-5-9-18/h2,4-5,8-9,11-14,16-17,34H,3,6-7,10,15H2,1H3,(H,31,32)(H2,28,30,33).
What are the key properties of N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide?
N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide has a molecular weight of 488.54 g/mol, XLogP of 5.36, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)phenyl]carbamoylamino]hexanamide is sourced from PubChem (CID 10458209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).