3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole

C16H14F4N2O2 — CID 171519807

IUPAC3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)c1cc2cc(F)c(OCc3cc(C(F)(F)F)on3)cc2[nH]1
InChIInChI=1S/C16H14F4N2O2/c1-8(2)12-4-9-3-11(17)14(6-13(9)21-12)23-7-10-5-15(24-22-10)16(18,19)20/h3-6,8,21H,7H2,1-2H3
InChIKeyKVYDTWJIQYZAQT-UHFFFAOYSA-N
MW342.29 g/mol
LogP5.02
Rot. Bonds4

About 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole

3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 171519807) has the molecular formula C16H14F4N2O2 and a molecular weight of 342.29 g/mol. Its IUPAC name is 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID171519807
Molecular FormulaC16H14F4N2O2
Molecular Weight342.29 g/mol
Exact Mass342.10
IUPAC Name3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)c1cc2cc(F)c(OCc3cc(C(F)(F)F)on3)cc2[nH]1
InChIInChI=1S/C16H14F4N2O2/c1-8(2)12-4-9-3-11(17)14(6-13(9)21-12)23-7-10-5-15(24-22-10)16(18,19)20/h3-6,8,21H,7H2,1-2H3
InChIKeyKVYDTWJIQYZAQT-UHFFFAOYSA-N
XLogP5.02
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.29
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine
CID 171519239
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
N-[[5-fluoro-6-(1,3-oxazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518318
3-[(5-chloro-4-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-oxazole
CID 171519097
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
CID 171519301
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
N-[[5-fluoro-6-[(2-methyl-1,3-oxazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-2-methylpropanamide
CID 171518515
2,5,6-tri(propan-2-yl)-1H-indole
CID 134294534
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
CID 171519183
N-[[5-fluoro-6-(1,2-oxazol-3-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171518276

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole (CID 171519807) is 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole is CC(C)c1cc2cc(F)c(OCc3cc(C(F)(F)F)on3)cc2[nH]1.
What is the InChIKey of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is KVYDTWJIQYZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N2O2/c1-8(2)12-4-9-3-11(17)14(6-13(9)21-12)23-7-10-5-15(24-22-10)16(18,19)20/h3-6,8,21H,7H2,1-2H3.
What are the key properties of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole?
3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 342.29 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 171519807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).