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

C17H18FN3O4 — CID 171517866

IUPACN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2cc(F)c(OCc3cc(C)no3)cc2[nH]1
InChIInChI=1S/C17H18FN3O4/c1-10-3-13(25-21-10)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(22)9-23-2/h3-6,20H,7-9H2,1-2H3,(H,19,22)
InChIKeyTZIGAQMLRFSBAY-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.45
Rot. Bonds7

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

N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide (PubChem CID 171517866) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide
PubChem CID171517866
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC NameN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cc2cc(F)c(OCc3cc(C)no3)cc2[nH]1
InChIInChI=1S/C17H18FN3O4/c1-10-3-13(25-21-10)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(22)9-23-2/h3-6,20H,7-9H2,1-2H3,(H,19,22)
InChIKeyTZIGAQMLRFSBAY-UHFFFAOYSA-N
XLogP2.45
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide (CID 171517866) is N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cc2cc(F)c(OCc3cc(C)no3)cc2[nH]1.
What is the InChIKey of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is TZIGAQMLRFSBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10-3-13(25-21-10)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(22)9-23-2/h3-6,20H,7-9H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide?
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 347.35 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 171517866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).