[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine

C14H14FN3O2 — CID 171519239

IUPAC[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine
SMILESCc1cc(COc2cc3[nH]c(CN)cc3cc2F)no1
InChIInChI=1S/C14H14FN3O2/c1-8-2-11(18-20-8)7-19-14-5-13-9(4-12(14)15)3-10(6-16)17-13/h2-5,17H,6-7,16H2,1H3
InChIKeyUABFZSXXAPHBSR-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.64
Rot. Bonds4

About [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine

[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine (PubChem CID 171519239) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine.

Molecular Properties

Compound Name[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine
PubChem CID171519239
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine
SMILESCc1cc(COc2cc3[nH]c(CN)cc3cc2F)no1
InChIInChI=1S/C14H14FN3O2/c1-8-2-11(18-20-8)7-19-14-5-13-9(4-12(14)15)3-10(6-16)17-13/h2-5,17H,6-7,16H2,1H3
InChIKeyUABFZSXXAPHBSR-UHFFFAOYSA-N
XLogP2.64
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine?
The IUPAC name of [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine (CID 171519239) is [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine.
What is the SMILES notation for [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine?
The canonical SMILES for [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine is Cc1cc(COc2cc3[nH]c(CN)cc3cc2F)no1.
What is the InChIKey of [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine?
The InChIKey is UABFZSXXAPHBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-8-2-11(18-20-8)7-19-14-5-13-9(4-12(14)15)3-10(6-16)17-13/h2-5,17H,6-7,16H2,1H3.
What are the key properties of [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine?
[5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine has a molecular weight of 275.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methanamine is sourced from PubChem (CID 171519239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).