5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide

C15H24N2O5 — CID 52939315

IUPAC5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide
SMILESCc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)NO)OC1
InChIInChI=1S/C15H24N2O5/c1-9-11(16-13(22-9)14(2,3)4)6-10-7-20-15(5,21-8-10)12(18)17-19/h10,19H,6-8H2,1-5H3,(H,17,18)
InChIKeyQWHQAXFGMSHAJT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.71
Rot. Bonds3

About 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide

5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide (PubChem CID 52939315) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide.

Molecular Properties

Compound Name5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide
PubChem CID52939315
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide
SMILESCc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)NO)OC1
InChIInChI=1S/C15H24N2O5/c1-9-11(16-13(22-9)14(2,3)4)6-10-7-20-15(5,21-8-10)12(18)17-19/h10,19H,6-8H2,1-5H3,(H,17,18)
InChIKeyQWHQAXFGMSHAJT-UHFFFAOYSA-N
XLogP1.71
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
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'}

Analyze 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

[5-[(2-Tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-2-methyl-1,3-dioxan-2-yl]-morpholin-4-ylmethanone
CID 52939316
[5-Methyl-4-(oxan-4-yl)-1,3-oxazol-2-yl]methanamine
CID 105449936
3-[5-Methyl-4-(oxan-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 115034607

Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide?
The IUPAC name of 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide (CID 52939315) is 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide.
What is the SMILES notation for 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide?
The canonical SMILES for 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide is Cc1oc(C(C)(C)C)nc1CC1COC(C)(C(=O)NO)OC1.
What is the InChIKey of 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide?
The InChIKey is QWHQAXFGMSHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-9-11(16-13(22-9)14(2,3)4)6-10-7-20-15(5,21-8-10)12(18)17-19/h10,19H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide?
5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butyl-5-methyl-1,3-oxazol-4-yl)methyl]-N-hydroxy-2-methyl-1,3-dioxane-2-carboxamide is sourced from PubChem (CID 52939315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).