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

C17H16F3N3O3 — CID 171518264

IUPAC2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(C)(F)F)cc3cc2F)on1
InChIInChI=1S/C17H16F3N3O3/c1-9-3-12(26-23-9)8-25-15-6-14-10(5-13(15)18)4-11(22-14)7-21-16(24)17(2,19)20/h3-6,22H,7-8H2,1-2H3,(H,21,24)
InChIKeyNXUSVYNARRLGEJ-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.45
Rot. Bonds6

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

2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide (PubChem CID 171518264) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide
PubChem CID171518264
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(C)(F)F)cc3cc2F)on1
InChIInChI=1S/C17H16F3N3O3/c1-9-3-12(26-23-9)8-25-15-6-14-10(5-13(15)18)4-11(22-14)7-21-16(24)17(2,19)20/h3-6,22H,7-8H2,1-2H3,(H,21,24)
InChIKeyNXUSVYNARRLGEJ-UHFFFAOYSA-N
XLogP3.45
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide (CID 171518264) is 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C(C)(F)F)cc3cc2F)on1.
What is the InChIKey of 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide?
The InChIKey is NXUSVYNARRLGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9-3-12(26-23-9)8-25-15-6-14-10(5-13(15)18)4-11(22-14)7-21-16(24)17(2,19)20/h3-6,22H,7-8H2,1-2H3,(H,21,24).
What are the key properties of 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide?
2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide has a molecular weight of 367.33 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]propanamide is sourced from PubChem (CID 171518264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).