5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine

C18H14N2O2S — CID 134808015

IUPAC5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1cc(-c2ccsc2)c2onc(C)c2n1
InChIInChI=1S/C18H14N2O2S/c1-11-17-18(22-20-11)14(12-7-8-23-10-12)9-15(19-17)13-5-3-4-6-16(13)21-2/h3-10H,1-2H3
InChIKeyOPCHVKBNIWPASK-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.94
Rot. Bonds3

About 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine

5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 134808015) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine
PubChem CID134808015
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1cc(-c2ccsc2)c2onc(C)c2n1
InChIInChI=1S/C18H14N2O2S/c1-11-17-18(22-20-11)14(12-7-8-23-10-12)9-15(19-17)13-5-3-4-6-16(13)21-2/h3-10H,1-2H3
InChIKeyOPCHVKBNIWPASK-UHFFFAOYSA-N
XLogP4.94
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine (CID 134808015) is 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine is COc1ccccc1-c1cc(-c2ccsc2)c2onc(C)c2n1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is OPCHVKBNIWPASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-11-17-18(22-20-11)14(12-7-8-23-10-12)9-15(19-17)13-5-3-4-6-16(13)21-2/h3-10H,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine?
5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 322.39 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-methyl-7-thiophen-3-yl-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 134808015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).