2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C21H19FN2O2 — CID 110427369

IUPAC2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H19FN2O2/c1-13-10-15-6-3-4-9-19(15)24(13)20(25)12-18-14(2)26-21(23-18)16-7-5-8-17(22)11-16/h3-9,11,13H,10,12H2,1-2H3
InChIKeyOCARDDRJCKZVRC-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.31
Rot. Bonds3

About 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110427369) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID110427369
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1oc(-c2cccc(F)c2)nc1CC(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H19FN2O2/c1-13-10-15-6-3-4-9-19(15)24(13)20(25)12-18-14(2)26-21(23-18)16-7-5-8-17(22)11-16/h3-9,11,13H,10,12H2,1-2H3
InChIKeyOCARDDRJCKZVRC-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110620134
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110413016
1-(4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 123308015
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 75404639
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110651148
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
2-(5-fluoro-2-methylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9099723
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(imidazo[1,5-a]pyridin-3-ylmethyl)acetamide
CID 110609939
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1139555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 110427369) is 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is Cc1oc(-c2cccc(F)c2)nc1CC(=O)N1c2ccccc2CC1C.
What is the InChIKey of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is OCARDDRJCKZVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-13-10-15-6-3-4-9-19(15)24(13)20(25)12-18-14(2)26-21(23-18)16-7-5-8-17(22)11-16/h3-9,11,13H,10,12H2,1-2H3.
What are the key properties of 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 350.39 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110427369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).