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

C14H17N3O3 — CID 51089828

IUPAC3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCCOC3)cc12
InChIInChI=1S/C14H17N3O3/c1-9-12-5-11(7-16-14(12)20-17-9)13(18)15-6-10-3-2-4-19-8-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,18)
InChIKeyGORNGSKJLZSXJB-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.69
Rot. Bonds3

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

3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 51089828) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID51089828
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1noc2ncc(C(=O)NCC3CCCOC3)cc12
InChIInChI=1S/C14H17N3O3/c1-9-12-5-11(7-16-14(12)20-17-9)13(18)15-6-10-3-2-4-19-8-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,18)
InChIKeyGORNGSKJLZSXJB-UHFFFAOYSA-N
XLogP1.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 51089828) is 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is Cc1noc2ncc(C(=O)NCC3CCCOC3)cc12.
What is the InChIKey of 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is GORNGSKJLZSXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-12-5-11(7-16-14(12)20-17-9)13(18)15-6-10-3-2-4-19-8-10/h5,7,10H,2-4,6,8H2,1H3,(H,15,18).
What are the key properties of 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 51089828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).