5-(difluoromethyl)-4-ethyl-1,3-oxazole

C6H7F2NO — CID 177327934

IUPAC5-(difluoromethyl)-4-ethyl-1,3-oxazole
SMILESCCc1ncoc1C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)10-3-9-4/h3,6H,2H2,1H3
InChIKeyROYLRDKHTSSSPR-UHFFFAOYSA-N
MW147.12 g/mol
LogP2.17
Rot. Bonds2

About 5-(difluoromethyl)-4-ethyl-1,3-oxazole

5-(difluoromethyl)-4-ethyl-1,3-oxazole (PubChem CID 177327934) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-ethyl-1,3-oxazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-ethyl-1,3-oxazole
PubChem CID177327934
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name5-(difluoromethyl)-4-ethyl-1,3-oxazole
SMILESCCc1ncoc1C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)10-3-9-4/h3,6H,2H2,1H3
InChIKeyROYLRDKHTSSSPR-UHFFFAOYSA-N
XLogP2.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(difluoromethyl)-4-ethyl-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-(difluoromethyl)-4-ethyl-1,3-oxazole?
The IUPAC name of 5-(difluoromethyl)-4-ethyl-1,3-oxazole (CID 177327934) is 5-(difluoromethyl)-4-ethyl-1,3-oxazole.
What is the SMILES notation for 5-(difluoromethyl)-4-ethyl-1,3-oxazole?
The canonical SMILES for 5-(difluoromethyl)-4-ethyl-1,3-oxazole is CCc1ncoc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-ethyl-1,3-oxazole?
The InChIKey is ROYLRDKHTSSSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-2-4-5(6(7)8)10-3-9-4/h3,6H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-ethyl-1,3-oxazole?
5-(difluoromethyl)-4-ethyl-1,3-oxazole has a molecular weight of 147.12 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-ethyl-1,3-oxazole is sourced from PubChem (CID 177327934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).