3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole

C10H9F2NO — CID 150037810

IUPAC3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C10H9F2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-3,5-6H,4H2,1H3
InChIKeyDIQCMAQDBBGLOT-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.48
Rot. Bonds1

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

3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (PubChem CID 150037810) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
PubChem CID150037810
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole
SMILESCC1CC(c2cc(F)ccc2F)=NO1
InChIInChI=1S/C10H9F2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-3,5-6H,4H2,1H3
InChIKeyDIQCMAQDBBGLOT-UHFFFAOYSA-N
XLogP2.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-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

(5R)-3-(2,5-difluorophenyl)-N-methyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95171621
methyl (2R)-2-[[(5S)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-methylamino]propanoate
CID 100647747
3-(2,5-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56788132
[3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110026520
[(2R)-2-cyclobutylpyrrolidin-1-yl]-[(5R)-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 99807284
(5S)-3-(2,5-difluorophenyl)-N-(2,4-difluoro-6-phenylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 99807177
(5R)-3-(2,5-difluorophenyl)-N-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95623071
3-(2,5-difluorophenyl)-N-(3,4-dihydro-2H-chromen-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 91642654
(5S)-N-[(3S)-3-cyanothiolan-3-yl]-3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95317048
(5R)-3-(2,5-difluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 99807157
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 23643899
[3-(2,5-difluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl] hydrogen carbonate
CID 118269060

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole (CID 150037810) is 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is CC1CC(c2cc(F)ccc2F)=NO1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DIQCMAQDBBGLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6-4-10(13-14-6)8-5-7(11)2-3-9(8)12/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole?
3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole has a molecular weight of 197.18 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-methyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 150037810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).