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

C11H17FN2O3 — CID 118698692

IUPAC4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1noc(CO)c1CF
InChIInChI=1S/C11H17FN2O3/c1-6(2)7(3)13-11(16)10-8(4-12)9(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyNOHUAPIPKUGVAZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.41
Rot. Bonds5

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

4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 118698692) has the molecular formula C11H17FN2O3 and a molecular weight of 244.27 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID118698692
Molecular FormulaC11H17FN2O3
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)C(C)NC(=O)c1noc(CO)c1CF
InChIInChI=1S/C11H17FN2O3/c1-6(2)7(3)13-11(16)10-8(4-12)9(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16)
InChIKeyNOHUAPIPKUGVAZ-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide (CID 118698692) is 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)C(C)NC(=O)c1noc(CO)c1CF.
What is the InChIKey of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is NOHUAPIPKUGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3/c1-6(2)7(3)13-11(16)10-8(4-12)9(5-15)17-14-10/h6-7,15H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide?
4-(fluoromethyl)-5-(hydroxymethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 1.41, 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-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118698692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).