5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole

C12H15F2N3OS — CID 75381265

IUPAC5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(SCc2nccn2C(F)F)o1
InChIInChI=1S/C12H15F2N3OS/c1-12(2,3)8-6-16-11(18-8)19-7-9-15-4-5-17(9)10(13)14/h4-6,10H,7H2,1-3H3
InChIKeySBRPKSSGPRPUTI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.86
Rot. Bonds4

About 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole

5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole (PubChem CID 75381265) has the molecular formula C12H15F2N3OS and a molecular weight of 287.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole
PubChem CID75381265
Molecular FormulaC12H15F2N3OS
Molecular Weight287.33 g/mol
Exact Mass287.09
IUPAC Name5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole
SMILESCC(C)(C)c1cnc(SCc2nccn2C(F)F)o1
InChIInChI=1S/C12H15F2N3OS/c1-12(2,3)8-6-16-11(18-8)19-7-9-15-4-5-17(9)10(13)14/h4-6,10H,7H2,1-3H3
InChIKeySBRPKSSGPRPUTI-UHFFFAOYSA-N
XLogP3.86
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-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

Related Compounds

2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]aniline
CID 43144094
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-4-methylaniline
CID 79142305
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79683406
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43213295
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
1-(difluoromethyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanylmethyl]imidazole
CID 24562217
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenol
CID 113430077
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
3-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]propan-1-ol
CID 66114089
2-[4-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]phenyl]acetic acid
CID 64928160
2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-5-phenyl-1-(2,2,2-trifluoroethyl)imidazole
CID 60606986
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole (CID 75381265) is 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole is CC(C)(C)c1cnc(SCc2nccn2C(F)F)o1.
What is the InChIKey of 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole?
The InChIKey is SBRPKSSGPRPUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3OS/c1-12(2,3)8-6-16-11(18-8)19-7-9-15-4-5-17(9)10(13)14/h4-6,10H,7H2,1-3H3.
What are the key properties of 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole?
5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole has a molecular weight of 287.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[[1-(difluoromethyl)imidazol-2-yl]methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 75381265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).