4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C10H15FN2O3 — CID 118698792

IUPAC4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1noc(CO)c1CF
InChIInChI=1S/C10H15FN2O3/c1-6(2)4-12-10(15)9-7(3-11)8(5-14)16-13-9/h6,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyZPJWIIOTXLQIDE-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.02
Rot. Bonds5

About 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide

4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118698792) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118698792
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1noc(CO)c1CF
InChIInChI=1S/C10H15FN2O3/c1-6(2)4-12-10(15)9-7(3-11)8(5-14)16-13-9/h6,14H,3-5H2,1-2H3,(H,12,15)
InChIKeyZPJWIIOTXLQIDE-UHFFFAOYSA-N
XLogP1.02
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 118698792) is 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1noc(CO)c1CF.
What is the InChIKey of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZPJWIIOTXLQIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-6(2)4-12-10(15)9-7(3-11)8(5-14)16-13-9/h6,14H,3-5H2,1-2H3,(H,12,15).
What are the key properties of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 230.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).