5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

C21H19FN2O2 — CID 118727338

IUPAC5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1c(-c2ccc(F)cc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C21H19FN2O2/c1-12(2)24-11-16-10-15(6-9-18(16)21(24)25)20-13(3)19(23-26-20)14-4-7-17(22)8-5-14/h4-10,12H,11H2,1-3H3
InChIKeyGBYBABBGNOSDLN-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.82
Rot. Bonds3

About 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one

5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (PubChem CID 118727338) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
PubChem CID118727338
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
SMILESCc1c(-c2ccc(F)cc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O
InChIInChI=1S/C21H19FN2O2/c1-12(2)24-11-16-10-15(6-9-18(16)21(24)25)20-13(3)19(23-26-20)14-4-7-17(22)8-5-14/h4-10,12H,11H2,1-3H3
InChIKeyGBYBABBGNOSDLN-UHFFFAOYSA-N
XLogP4.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one with MolForge

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Related Compounds

(3~{s})-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-2-Methyl-3-Phenyl-3~{h}-Isoindol-1-One
CID 78428091
1-[(5-Methyl-3-phenylisoxazol-4-yl)carbonyl]-1,2,3,4,6,10b-hexahydropyrimido[2,1-a]isoindol-6-one
CID 330502
(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3-dihydroisoindol-5-yl]prop-2-enamide
CID 24959542
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide
CID 2738646
4-(4-fluorophenyl)-3-methyl-5-[(2S,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole;hydrochloride
CID 44560443
8-(3,5-dimethyl-1,2-oxazol-4-yl)-6-phenyl-3,4,6,10b-tetrahydro-2H-[1,3]oxazino[2,3-a]isoindole
CID 137652287
5-[3-(2,4-difluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one
CID 118727337
3-[6-[1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 137519430
2-[3-[(2R)-1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360404
2-[3-[1-(4-methyl-1,2-oxazol-3-yl)propan-2-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 139360414
2-[(3-Phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
CID 1479587
N-cyclopropyl-4-methyl-3-(3-methylbenzo[d]isoxazol-5-yl)benzamide
CID 44580692

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one (CID 118727338) is 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is Cc1c(-c2ccc(F)cc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O.
What is the InChIKey of 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
The InChIKey is GBYBABBGNOSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-12(2)24-11-16-10-15(6-9-18(16)21(24)25)20-13(3)19(23-26-20)14-4-7-17(22)8-5-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one?
5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one has a molecular weight of 350.39 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-4-methyl-1,2-oxazol-5-yl]-2-propan-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 118727338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).