2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole

C18H15FN4O2 — CID 56758574

IUPAC2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3ncc4cccnc43)c(C)o2)c1
InChIInChI=1S/C18H15FN4O2/c1-11-16(10-23-17-12(9-21-23)4-3-7-20-17)22-18(25-11)14-8-13(24-2)5-6-15(14)19/h3-9H,10H2,1-2H3
InChIKeyCODNWRIAYGAICO-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.59
Rot. Bonds4

About 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole

2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole (PubChem CID 56758574) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole
PubChem CID56758574
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole
SMILESCOc1ccc(F)c(-c2nc(Cn3ncc4cccnc43)c(C)o2)c1
InChIInChI=1S/C18H15FN4O2/c1-11-16(10-23-17-12(9-21-23)4-3-7-20-17)22-18(25-11)14-8-13(24-2)5-6-15(14)19/h3-9H,10H2,1-2H3
InChIKeyCODNWRIAYGAICO-UHFFFAOYSA-N
XLogP3.59
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole (CID 56758574) is 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole is COc1ccc(F)c(-c2nc(Cn3ncc4cccnc43)c(C)o2)c1.
What is the InChIKey of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole?
The InChIKey is CODNWRIAYGAICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11-16(10-23-17-12(9-21-23)4-3-7-20-17)22-18(25-11)14-8-13(24-2)5-6-15(14)19/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole?
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole has a molecular weight of 338.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-(pyrazolo[5,4-b]pyridin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 56758574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).