1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile

C15H11BrF3N3O — CID 70985506

IUPAC1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile
SMILESCC1Cc2c(ccc(C#N)c2C(F)(F)F)N1Cc1cc(Br)no1
InChIInChI=1S/C15H11BrF3N3O/c1-8-4-11-12(22(8)7-10-5-13(16)21-23-10)3-2-9(6-20)14(11)15(17,18)19/h2-3,5,8H,4,7H2,1H3
InChIKeyRTDBTGWYKCKJQZ-UHFFFAOYSA-N
MW386.17 g/mol
LogP4.28
Rot. Bonds2

About 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile

1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile (PubChem CID 70985506) has the molecular formula C15H11BrF3N3O and a molecular weight of 386.17 g/mol. Its IUPAC name is 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile.

Molecular Properties

Compound Name1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile
PubChem CID70985506
Molecular FormulaC15H11BrF3N3O
Molecular Weight386.17 g/mol
Exact Mass385.00
IUPAC Name1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile
SMILESCC1Cc2c(ccc(C#N)c2C(F)(F)F)N1Cc1cc(Br)no1
InChIInChI=1S/C15H11BrF3N3O/c1-8-4-11-12(22(8)7-10-5-13(16)21-23-10)3-2-9(6-20)14(11)15(17,18)19/h2-3,5,8H,4,7H2,1H3
InChIKeyRTDBTGWYKCKJQZ-UHFFFAOYSA-N
XLogP4.28
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.17
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile
CID 87386905
2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(2-methylpropyl)benzonitrile
CID 171780065
5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569942
1-[[5-[2-fluoro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile
CID 89160020
1-[[5-(3-hydroxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
CID 24984303
4-[(3-bromo-1,2-oxazol-5-yl)methyl]-2,3-dimethylmorpholine
CID 130877507
1-[[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-2-cyclopropyl-4-(trifluoromethyl)indole-5-carbonitrile
CID 86620675
3-bromo-5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,2-oxazole
CID 130673415
N-[3-cyano-6-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 141019859
1-[[5-(4-acetylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
CID 24984146
1-[[5-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethyl)indole-5-carbonitrile
CID 24984142
1-[[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-propyl-4-(trifluoromethyl)indole-5-carbonitrile
CID 67404521

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile?
The IUPAC name of 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile (CID 70985506) is 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile.
What is the SMILES notation for 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile?
The canonical SMILES for 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile is CC1Cc2c(ccc(C#N)c2C(F)(F)F)N1Cc1cc(Br)no1.
What is the InChIKey of 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile?
The InChIKey is RTDBTGWYKCKJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3N3O/c1-8-4-11-12(22(8)7-10-5-13(16)21-23-10)3-2-9(6-20)14(11)15(17,18)19/h2-3,5,8H,4,7H2,1H3.
What are the key properties of 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile?
1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile has a molecular weight of 386.17 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-1,2-oxazol-5-yl)methyl]-2-methyl-4-(trifluoromethyl)-2,3-dihydroindole-5-carbonitrile is sourced from PubChem (CID 70985506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).