[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine

C11H14N4O — CID 83836541

IUPAC[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2nc3cccnc3o2)C1
InChIInChI=1S/C11H14N4O/c12-6-8-3-5-15(7-8)11-14-9-2-1-4-13-10(9)16-11/h1-2,4,8H,3,5-7,12H2
InChIKeyHWHGAGVWQURNMT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.01
Rot. Bonds2

About [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine

[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 83836541) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID83836541
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2nc3cccnc3o2)C1
InChIInChI=1S/C11H14N4O/c12-6-8-3-5-15(7-8)11-14-9-2-1-4-13-10(9)16-11/h1-2,4,8H,3,5-7,12H2
InChIKeyHWHGAGVWQURNMT-UHFFFAOYSA-N
XLogP1.01
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine (CID 83836541) is [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2nc3cccnc3o2)C1.
What is the InChIKey of [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is HWHGAGVWQURNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-6-8-3-5-15(7-8)11-14-9-2-1-4-13-10(9)16-11/h1-2,4,8H,3,5-7,12H2.
What are the key properties of [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine?
[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 83836541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).