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

C11H17FN2O3 — CID 118698748

IUPAC4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1noc(CO)c1C(C)F
InChIInChI=1S/C11H17FN2O3/c1-6(2)4-13-11(16)10-9(7(3)12)8(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyLAHOPRRKZLUSCU-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.58
Rot. Bonds5

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

4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 118698748) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID118698748
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CNC(=O)c1noc(CO)c1C(C)F
InChIInChI=1S/C11H17FN2O3/c1-6(2)4-13-11(16)10-9(7(3)12)8(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyLAHOPRRKZLUSCU-UHFFFAOYSA-N
XLogP1.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 118698748) is 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)CNC(=O)c1noc(CO)c1C(C)F.
What is the InChIKey of 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LAHOPRRKZLUSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-6(2)4-13-11(16)10-9(7(3)12)8(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-5-(hydroxymethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).