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

C12H16N4O — CID 84695765

IUPACN-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine
SMILESCNc1ccnc2oc(C3CCNCC3)nc12
InChIInChI=1S/C12H16N4O/c1-13-9-4-7-15-12-10(9)16-11(17-12)8-2-5-14-6-3-8/h4,7-8,14H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyTUMCWNVLAHBFEX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.73
Rot. Bonds2

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

N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine (PubChem CID 84695765) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine
PubChem CID84695765
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine
SMILESCNc1ccnc2oc(C3CCNCC3)nc12
InChIInChI=1S/C12H16N4O/c1-13-9-4-7-15-12-10(9)16-11(17-12)8-2-5-14-6-3-8/h4,7-8,14H,2-3,5-6H2,1H3,(H,13,15)
InChIKeyTUMCWNVLAHBFEX-UHFFFAOYSA-N
XLogP1.73
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine?
The IUPAC name of N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine (CID 84695765) is N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine?
The canonical SMILES for N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine is CNc1ccnc2oc(C3CCNCC3)nc12.
What is the InChIKey of N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine?
The InChIKey is TUMCWNVLAHBFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-9-4-7-15-12-10(9)16-11(17-12)8-2-5-14-6-3-8/h4,7-8,14H,2-3,5-6H2,1H3,(H,13,15).
What are the key properties of N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine?
N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine has a molecular weight of 232.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yl-[1,3]oxazolo[5,4-b]pyridin-7-amine is sourced from PubChem (CID 84695765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).