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

C16H17FN2O2 — CID 171518080

IUPAC3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]c(C(C)C)cc3cc2F)no1
InChIInChI=1S/C16H17FN2O2/c1-9(2)14-6-11-5-13(17)16(7-15(11)18-14)20-8-12-4-10(3)21-19-12/h4-7,9,18H,8H2,1-3H3
InChIKeyMMZOCUWZKSAMJS-UHFFFAOYSA-N
MW288.32 g/mol
LogP4.31
Rot. Bonds4

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

3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (PubChem CID 171518080) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
PubChem CID171518080
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2cc3[nH]c(C(C)C)cc3cc2F)no1
InChIInChI=1S/C16H17FN2O2/c1-9(2)14-6-11-5-13(17)16(7-15(11)18-14)20-8-12-4-10(3)21-19-12/h4-7,9,18H,8H2,1-3H3
InChIKeyMMZOCUWZKSAMJS-UHFFFAOYSA-N
XLogP4.31
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole (CID 171518080) is 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole is Cc1cc(COc2cc3[nH]c(C(C)C)cc3cc2F)no1.
What is the InChIKey of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
The InChIKey is MMZOCUWZKSAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-9(2)14-6-11-5-13(17)16(7-15(11)18-14)20-8-12-4-10(3)21-19-12/h4-7,9,18H,8H2,1-3H3.
What are the key properties of 3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole?
3-[(5-fluoro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-5-methyl-1,2-oxazole has a molecular weight of 288.32 g/mol, XLogP of 4.31, 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-methyl-1,2-oxazole is sourced from PubChem (CID 171518080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).