5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one

C12H13FN2O2 — CID 167910904

IUPAC5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)c1ncc(-c2c[nH]c(=O)c(F)c2)o1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)11-15-6-9(17-11)7-4-8(13)10(16)14-5-7/h4-6H,1-3H3,(H,14,16)
InChIKeyHMQOWEMWVRVIPL-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.47
Rot. Bonds1

About 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one

5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one (PubChem CID 167910904) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one
PubChem CID167910904
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one
SMILESCC(C)(C)c1ncc(-c2c[nH]c(=O)c(F)c2)o1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)11-15-6-9(17-11)7-4-8(13)10(16)14-5-7/h4-6H,1-3H3,(H,14,16)
InChIKeyHMQOWEMWVRVIPL-UHFFFAOYSA-N
XLogP2.47
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one?
The IUPAC name of 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one (CID 167910904) is 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one?
The canonical SMILES for 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one is CC(C)(C)c1ncc(-c2c[nH]c(=O)c(F)c2)o1.
What is the InChIKey of 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one?
The InChIKey is HMQOWEMWVRVIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(2,3)11-15-6-9(17-11)7-4-8(13)10(16)14-5-7/h4-6H,1-3H3,(H,14,16).
What are the key properties of 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one?
5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one has a molecular weight of 236.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-1,3-oxazol-5-yl)-3-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 167910904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).