3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

C12H11FN2O — CID 83849274

IUPAC3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESCc1cc(-c2onc3c2CNC3)ccc1F
InChIInChI=1S/C12H11FN2O/c1-7-4-8(2-3-10(7)13)12-9-5-14-6-11(9)15-16-12/h2-4,14H,5-6H2,1H3
InChIKeyOXMRBYAYJFZWAM-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.39
Rot. Bonds1

About 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole

3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (PubChem CID 83849274) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
PubChem CID83849274
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
SMILESCc1cc(-c2onc3c2CNC3)ccc1F
InChIInChI=1S/C12H11FN2O/c1-7-4-8(2-3-10(7)13)12-9-5-14-6-11(9)15-16-12/h2-4,14H,5-6H2,1H3
InChIKeyOXMRBYAYJFZWAM-UHFFFAOYSA-N
XLogP2.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][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

3-(2,6-difluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83849787
3-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole
CID 83849643
4-(4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 83850243
4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 79556620
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
3-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridine
CID 83850192
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291619
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289707
2-(4-fluoro-3-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742912
2-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482811

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole (CID 83849274) is 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is Cc1cc(-c2onc3c2CNC3)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
The InChIKey is OXMRBYAYJFZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c1-7-4-8(2-3-10(7)13)12-9-5-14-6-11(9)15-16-12/h2-4,14H,5-6H2,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole?
3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole has a molecular weight of 218.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-c][1,2]oxazole is sourced from PubChem (CID 83849274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).