4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole

C11H9F2NO — CID 90732795

IUPAC4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO/c1-6-11(7(2)15-14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3
InChIKeyKTIQWPMPZOHNRL-UHFFFAOYSA-N
MW209.19 g/mol
LogP3.24
Rot. Bonds1

About 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole

4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90732795) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
PubChem CID90732795
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(F)c(F)c1
InChIInChI=1S/C11H9F2NO/c1-6-11(7(2)15-14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3
InChIKeyKTIQWPMPZOHNRL-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-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

[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
4-[4-(4,5-dimethylidene-1,3,2-dioxaborolan-2-yl)-3,5-difluorophenyl]-3,5-dimethyl-1,2-oxazole
CID 88878447
4-[3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3,5-dimethyl-1,2-oxazole
CID 70655136
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
4-[2-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-5-(methyliminomethyl)pyrrol-3-yl]phenol
CID 123707249
3,5-dimethyl-4-(4-propan-2-ylphenyl)-1,2-oxazole
CID 58670338
4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methoxyphenol
CID 53220724
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole (CID 90732795) is 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is KTIQWPMPZOHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c1-6-11(7(2)15-14-6)8-3-4-9(12)10(13)5-8/h3-5H,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole?
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 209.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90732795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).