6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H15FN4O2S — CID 49356137

IUPAC6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCc3nccs3)c12
InChIInChI=1S/C19H15FN4O2S/c1-11-17-14(18(25)22-7-6-16-21-8-9-27-16)10-15(23-19(17)26-24-11)12-2-4-13(20)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,22,25)
InChIKeyJTDLHUAQABSNNH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.77
Rot. Bonds5

About 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 49356137) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID49356137
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCc3nccs3)c12
InChIInChI=1S/C19H15FN4O2S/c1-11-17-14(18(25)22-7-6-16-21-8-9-27-16)10-15(23-19(17)26-24-11)12-2-4-13(20)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,22,25)
InChIKeyJTDLHUAQABSNNH-UHFFFAOYSA-N
XLogP3.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 49356137) is 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NCCc3nccs3)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is JTDLHUAQABSNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-17-14(18(25)22-7-6-16-21-8-9-27-16)10-15(23-19(17)26-24-11)12-2-4-13(20)5-3-12/h2-5,8-10H,6-7H2,1H3,(H,22,25).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 49356137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).