N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide

C12H20N2O3 — CID 71968833

IUPACN-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1ccon1
InChIInChI=1S/C12H20N2O3/c1-3-12(4-2,6-7-15)9-13-11(16)10-5-8-17-14-10/h5,8,15H,3-4,6-7,9H2,1-2H3,(H,13,16)
InChIKeyKTFJTDBEWJIJEK-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.59
Rot. Bonds7

About N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide

N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide (PubChem CID 71968833) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide
PubChem CID71968833
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide
SMILESCCC(CC)(CCO)CNC(=O)c1ccon1
InChIInChI=1S/C12H20N2O3/c1-3-12(4-2,6-7-15)9-13-11(16)10-5-8-17-14-10/h5,8,15H,3-4,6-7,9H2,1-2H3,(H,13,16)
InChIKeyKTFJTDBEWJIJEK-UHFFFAOYSA-N
XLogP1.59
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide (CID 71968833) is N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide is CCC(CC)(CCO)CNC(=O)c1ccon1.
What is the InChIKey of N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KTFJTDBEWJIJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-12(4-2,6-7-15)9-13-11(16)10-5-8-17-14-10/h5,8,15H,3-4,6-7,9H2,1-2H3,(H,13,16).
What are the key properties of N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide?
N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-hydroxybutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71968833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).