2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C17H15FN4O3 — CID 56749030

IUPAC2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)no1
InChIInChI=1S/C17H15FN4O3/c1-9-6-15(21-25-9)20-16(23)17(24)22-5-4-14-12(8-22)11-7-10(18)2-3-13(11)19-14/h2-3,6-7,19H,4-5,8H2,1H3,(H,20,21,23)
InChIKeyMAUYWYUXYMGVSN-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.13
Rot. Bonds1

About 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 56749030) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID56749030
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)no1
InChIInChI=1S/C17H15FN4O3/c1-9-6-15(21-25-9)20-16(23)17(24)22-5-4-14-12(8-22)11-7-10(18)2-3-13(11)19-14/h2-3,6-7,19H,4-5,8H2,1H3,(H,20,21,23)
InChIKeyMAUYWYUXYMGVSN-UHFFFAOYSA-N
XLogP2.13
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 56749030) is 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)no1.
What is the InChIKey of 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is MAUYWYUXYMGVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-9-6-15(21-25-9)20-16(23)17(24)22-5-4-14-12(8-22)11-7-10(18)2-3-13(11)19-14/h2-3,6-7,19H,4-5,8H2,1H3,(H,20,21,23).
What are the key properties of 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 342.33 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 56749030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).