2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine

C16H12FN3O — CID 58220164

IUPAC2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1[nH]c2ccc(-c3nc4ccc(F)nc4o3)cc2c1C
InChIInChI=1S/C16H12FN3O/c1-8-9(2)18-12-4-3-10(7-11(8)12)15-19-13-5-6-14(17)20-16(13)21-15/h3-7,18H,1-2H3
InChIKeyLEHCCJXKJCPAFL-UHFFFAOYSA-N
MW281.29 g/mol
LogP4.13
Rot. Bonds1

About 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine

2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58220164) has the molecular formula C16H12FN3O and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58220164
Molecular FormulaC16H12FN3O
Molecular Weight281.29 g/mol
Exact Mass281.10
IUPAC Name2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1[nH]c2ccc(-c3nc4ccc(F)nc4o3)cc2c1C
InChIInChI=1S/C16H12FN3O/c1-8-9(2)18-12-4-3-10(7-11(8)12)15-19-13-5-6-14(17)20-16(13)21-15/h3-7,18H,1-2H3
InChIKeyLEHCCJXKJCPAFL-UHFFFAOYSA-N
XLogP4.13
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine
CID 44555119
5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 71455716
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
2-(2-bromoethylsulfanyl)-5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazole
CID 178179337
2,3,5-trimethyl-1H-indole;vanadium
CID 159816698
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-piperidin-1-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42609848
2-[9,10-dimethyl-6-[6-(trifluoromethyl)-1,3-benzoxazol-2-yl]anthracen-2-yl]-6-(trifluoromethyl)-1,3-benzoxazole
CID 58028242
N-(3-acetylphenyl)-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20895048
5-(2,3-dimethyl-1H-indol-5-yl)-N-(4-morpholin-4-ylbutyl)-1,3,4-oxadiazol-2-amine
CID 42634157
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 20895020
2-[[5-(2,3-dimethyl-1H-indol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyethyl)acetamide
CID 20895025

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine (CID 58220164) is 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is Cc1[nH]c2ccc(-c3nc4ccc(F)nc4o3)cc2c1C.
What is the InChIKey of 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is LEHCCJXKJCPAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O/c1-8-9(2)18-12-4-3-10(7-11(8)12)15-19-13-5-6-14(17)20-16(13)21-15/h3-7,18H,1-2H3.
What are the key properties of 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine?
2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 281.29 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-1H-indol-5-yl)-5-fluoro-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58220164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).