N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide

C24H36N2O5 — CID 71616934

IUPACN-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1
InChIInChI=1S/C24H36N2O5/c1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28)
InChIKeyXTAXYDQZLNJUOQ-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.31
Rot. Bonds10

About N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide

N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide (PubChem CID 71616934) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
PubChem CID71616934
Molecular FormulaC24H36N2O5
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC NameN-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide
SMILESCCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1
InChIInChI=1S/C24H36N2O5/c1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28)
InChIKeyXTAXYDQZLNJUOQ-UHFFFAOYSA-N
XLogP4.31
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The IUPAC name of N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide (CID 71616934) is N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide is CCC(CC)(c1ccc(OCC(=O)NO)c(C)c1)c1nc(CCC(O)C(C)(C)C)co1.
What is the InChIKey of N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
The InChIKey is XTAXYDQZLNJUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-7-24(8-2,17-9-11-19(16(3)13-17)30-15-21(28)26-29)22-25-18(14-31-22)10-12-20(27)23(4,5)6/h9,11,13-14,20,27,29H,7-8,10,12,15H2,1-6H3,(H,26,28).
What are the key properties of N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide?
N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide has a molecular weight of 432.56 g/mol, XLogP of 4.31, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-1,3-oxazol-2-yl]pentan-3-yl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 71616934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).