3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C19H17N3O2S2 — CID 33123893

IUPAC3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CCc3cccs3)Cc3cccs3)cc12
InChIInChI=1S/C19H17N3O2S2/c1-13-17-10-14(11-20-18(17)24-21-13)19(23)22(12-16-5-3-9-26-16)7-6-15-4-2-8-25-15/h2-5,8-11H,6-7,12H2,1H3
InChIKeyVOJMDHKZLWPOIG-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.54
Rot. Bonds6

About 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 33123893) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID33123893
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)N(CCc3cccs3)Cc3cccs3)cc12
InChIInChI=1S/C19H17N3O2S2/c1-13-17-10-14(11-20-18(17)24-21-13)19(23)22(12-16-5-3-9-26-16)7-6-15-4-2-8-25-15/h2-5,8-11H,6-7,12H2,1H3
InChIKeyVOJMDHKZLWPOIG-UHFFFAOYSA-N
XLogP4.54
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 33123893) is 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)N(CCc3cccs3)Cc3cccs3)cc12.
What is the InChIKey of 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VOJMDHKZLWPOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13-17-10-14(11-20-18(17)24-21-13)19(23)22(12-16-5-3-9-26-16)7-6-15-4-2-8-25-15/h2-5,8-11H,6-7,12H2,1H3.
What are the key properties of 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 33123893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).