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

C13H15N3O3 — CID 53497975

IUPAC3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCOC3)cc12
InChIInChI=1S/C13H15N3O3/c1-8-11-4-10(6-15-13(11)19-16-8)12(17)14-5-9-2-3-18-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17)
InChIKeyYOCVWZZDZBVYIJ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.30
Rot. Bonds3

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

3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 53497975) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID53497975
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCOC3)cc12
InChIInChI=1S/C13H15N3O3/c1-8-11-4-10(6-15-13(11)19-16-8)12(17)14-5-9-2-3-18-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17)
InChIKeyYOCVWZZDZBVYIJ-UHFFFAOYSA-N
XLogP1.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 53497975) is 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NCC3CCOC3)cc12.
What is the InChIKey of 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is YOCVWZZDZBVYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-11-4-10(6-15-13(11)19-16-8)12(17)14-5-9-2-3-18-7-9/h4,6,9H,2-3,5,7H2,1H3,(H,14,17).
What are the key properties of 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxolan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 53497975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).