3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

C16H15F3N2O2 — CID 126474574

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCc1noc(C)c1CC1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H15F3N2O2/c1-8-11(9(2)23-21-8)7-15(3)12-5-4-10(16(17,18)19)6-13(12)20-14(15)22/h4-6H,7H2,1-3H3,(H,20,22)
InChIKeyPOGITGFMVNVLBA-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.76
Rot. Bonds2

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (PubChem CID 126474574) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
PubChem CID126474574
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one
SMILESCc1noc(C)c1CC1(C)C(=O)Nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H15F3N2O2/c1-8-11(9(2)23-21-8)7-15(3)12-5-4-10(16(17,18)19)6-13(12)20-14(15)22/h4-6H,7H2,1-3H3,(H,20,22)
InChIKeyPOGITGFMVNVLBA-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one (CID 126474574) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is Cc1noc(C)c1CC1(C)C(=O)Nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is POGITGFMVNVLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-8-11(9(2)23-21-8)7-15(3)12-5-4-10(16(17,18)19)6-13(12)20-14(15)22/h4-6H,7H2,1-3H3,(H,20,22).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 324.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 126474574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).