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

C17H18FN3O4 — CID 171519183

IUPACN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(C)O)cc3cc2F)on1
InChIInChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23)
InChIKeyJOIXVAJUQVXQBH-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.18
Rot. Bonds6

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

N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide (PubChem CID 171519183) 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-hydroxypropanamide.

Molecular Properties

Compound NameN-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide
PubChem CID171519183
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-hydroxypropanamide
SMILESCc1cc(COc2cc3[nH]c(CNC(=O)C(C)O)cc3cc2F)on1
InChIInChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23)
InChIKeyJOIXVAJUQVXQBH-UHFFFAOYSA-N
XLogP2.18
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-hydroxypropanamide?
The IUPAC name of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide (CID 171519183) is N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The canonical SMILES for N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide is Cc1cc(COc2cc3[nH]c(CNC(=O)C(C)O)cc3cc2F)on1.
What is the InChIKey of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
The InChIKey is JOIXVAJUQVXQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-9-3-13(25-21-9)8-24-16-6-15-11(5-14(16)18)4-12(20-15)7-19-17(23)10(2)22/h3-6,10,20,22H,7-8H2,1-2H3,(H,19,23).
What are the key properties of N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide?
N-[[5-fluoro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxypropanamide has a molecular weight of 347.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 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-hydroxypropanamide is sourced from PubChem (CID 171519183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).