N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide

C26H29N3O5 — CID 127051526

IUPACN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide
SMILESCc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyVSUZBFWTCWWXDY-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.97
Rot. Bonds11

About N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide

N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide (PubChem CID 127051526) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide.

Molecular Properties

Compound NameN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide
PubChem CID127051526
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide
SMILESCc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyVSUZBFWTCWWXDY-UHFFFAOYSA-N
XLogP4.97
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.97
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide?
The IUPAC name of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide (CID 127051526) is N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide.
What is the SMILES notation for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide?
The canonical SMILES for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide is Cc1noc(C)c1-c1cc(NC(=O)CCCCCCC(=O)NO)cc(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide?
The InChIKey is VSUZBFWTCWWXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-17-25(18(2)34-29-17)20-14-21(26(32)19-10-6-5-7-11-19)16-22(15-20)27-23(30)12-8-3-4-9-13-24(31)28-33/h5-7,10-11,14-16,33H,3-4,8-9,12-13H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide?
N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide has a molecular weight of 463.53 g/mol, XLogP of 4.97, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-N'-hydroxyoctanediamide is sourced from PubChem (CID 127051526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).