4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole

C8H12FNO2 — CID 146377046

IUPAC4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole
SMILESCOc1oc(F)nc1C(C)(C)C
InChIInChI=1S/C8H12FNO2/c1-8(2,3)5-6(11-4)12-7(9)10-5/h1-4H3
InChIKeyWWPHZCBXCPZQJX-UHFFFAOYSA-N
MW173.19 g/mol
LogP2.12
Rot. Bonds1

About 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole

4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole (PubChem CID 146377046) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole
PubChem CID146377046
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC Name4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole
SMILESCOc1oc(F)nc1C(C)(C)C
InChIInChI=1S/C8H12FNO2/c1-8(2,3)5-6(11-4)12-7(9)10-5/h1-4H3
InChIKeyWWPHZCBXCPZQJX-UHFFFAOYSA-N
XLogP2.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole 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 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole (CID 146377046) is 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole is COc1oc(F)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole?
The InChIKey is WWPHZCBXCPZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c1-8(2,3)5-6(11-4)12-7(9)10-5/h1-4H3.
What are the key properties of 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole?
4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole has a molecular weight of 173.19 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-fluoro-5-methoxy-1,3-oxazole is sourced from PubChem (CID 146377046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).