N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide

C10H16N2O3 — CID 84597717

IUPACN-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccon1
InChIInChI=1S/C10H16N2O3/c1-3-10(2,5-6-13)11-9(14)8-4-7-15-12-8/h4,7,13H,3,5-6H2,1-2H3,(H,11,14)
InChIKeyVYQWULVNMVITCM-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.96
Rot. Bonds5

About N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide

N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 84597717) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID84597717
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC NameN-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1ccon1
InChIInChI=1S/C10H16N2O3/c1-3-10(2,5-6-13)11-9(14)8-4-7-15-12-8/h4,7,13H,3,5-6H2,1-2H3,(H,11,14)
InChIKeyVYQWULVNMVITCM-UHFFFAOYSA-N
XLogP0.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide (CID 84597717) is N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide is CCC(C)(CCO)NC(=O)c1ccon1.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is VYQWULVNMVITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-10(2,5-6-13)11-9(14)8-4-7-15-12-8/h4,7,13H,3,5-6H2,1-2H3,(H,11,14).
What are the key properties of N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide?
N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 84597717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).