5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole

C9H13F2NO2 — CID 153449683

IUPAC5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole
SMILESCOc1nc(C(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H13F2NO2/c1-9(2,3)6-5(7(10)11)12-8(13-4)14-6/h7H,1-4H3
InChIKeyMCVHWVPTLFEWAJ-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.92
Rot. Bonds2

About 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole

5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole (PubChem CID 153449683) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole
PubChem CID153449683
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole
SMILESCOc1nc(C(F)F)c(C(C)(C)C)o1
InChIInChI=1S/C9H13F2NO2/c1-9(2,3)6-5(7(10)11)12-8(13-4)14-6/h7H,1-4H3
InChIKeyMCVHWVPTLFEWAJ-UHFFFAOYSA-N
XLogP2.92
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-4-(difluoromethyl)-2-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 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole (CID 153449683) is 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole is COc1nc(C(F)F)c(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole?
The InChIKey is MCVHWVPTLFEWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-9(2,3)6-5(7(10)11)12-8(13-4)14-6/h7H,1-4H3.
What are the key properties of 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole?
5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole has a molecular weight of 205.20 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-(difluoromethyl)-2-methoxy-1,3-oxazole is sourced from PubChem (CID 153449683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).