3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine

C17H18N4O2 — CID 134807742

IUPAC3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC3CCOCC3)cc(-c3ccccn3)nc12
InChIInChI=1S/C17H18N4O2/c1-11-16-17(23-21-11)15(19-12-5-8-22-9-6-12)10-14(20-16)13-4-2-3-7-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,20)
InChIKeyCKHDPCKXZUASJJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.18
Rot. Bonds3

About 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine

3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 134807742) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
PubChem CID134807742
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine
SMILESCc1noc2c(NC3CCOCC3)cc(-c3ccccn3)nc12
InChIInChI=1S/C17H18N4O2/c1-11-16-17(23-21-11)15(19-12-5-8-22-9-6-12)10-14(20-16)13-4-2-3-7-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,20)
InChIKeyCKHDPCKXZUASJJ-UHFFFAOYSA-N
XLogP3.18
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine (CID 134807742) is 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is Cc1noc2c(NC3CCOCC3)cc(-c3ccccn3)nc12.
What is the InChIKey of 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is CKHDPCKXZUASJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-16-17(23-21-11)15(19-12-5-8-22-9-6-12)10-14(20-16)13-4-2-3-7-18-13/h2-4,7,10,12H,5-6,8-9H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine?
3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 310.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-yl)-5-pyridin-2-yl-[1,2]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 134807742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).