cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone

C17H19F2NO2S — CID 134173878

IUPACcyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)C3CCCCC3)s2)noc1C(C)(F)F
InChIInChI=1S/C17H19F2NO2S/c1-10-14(20-22-16(10)17(2,18)19)12-8-9-13(23-12)15(21)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyBUHHGTWUVREGCF-UHFFFAOYSA-N
MW339.41 g/mol
LogP5.59
Rot. Bonds4

About cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone

cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone (PubChem CID 134173878) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone
PubChem CID134173878
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Namecyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)C3CCCCC3)s2)noc1C(C)(F)F
InChIInChI=1S/C17H19F2NO2S/c1-10-14(20-22-16(10)17(2,18)19)12-8-9-13(23-12)15(21)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3
InChIKeyBUHHGTWUVREGCF-UHFFFAOYSA-N
XLogP5.59
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.41
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone 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 cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone (CID 134173878) is cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone is Cc1c(-c2ccc(C(=O)C3CCCCC3)s2)noc1C(C)(F)F.
What is the InChIKey of cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is BUHHGTWUVREGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-10-14(20-22-16(10)17(2,18)19)12-8-9-13(23-12)15(21)11-6-4-3-5-7-11/h8-9,11H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 339.41 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[5-(1,1-difluoroethyl)-4-methyl-1,2-oxazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 134173878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).