1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine

C16H15N3O — CID 18357523

IUPAC1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1-c1noc2ccncc12
InChIInChI=1S/C16H15N3O/c1-2-5-14(17)11-6-3-4-7-12(11)16-13-10-18-9-8-15(13)20-19-16/h2-4,6-10,14H,1,5,17H2
InChIKeyXUSFQERTJLWRKN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.47
Rot. Bonds4

About 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine

1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine (PubChem CID 18357523) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine
PubChem CID18357523
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine
SMILESC=CCC(N)c1ccccc1-c1noc2ccncc12
InChIInChI=1S/C16H15N3O/c1-2-5-14(17)11-6-3-4-7-12(11)16-13-10-18-9-8-15(13)20-19-16/h2-4,6-10,14H,1,5,17H2
InChIKeyXUSFQERTJLWRKN-UHFFFAOYSA-N
XLogP3.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine?
The IUPAC name of 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine (CID 18357523) is 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine.
What is the SMILES notation for 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine?
The canonical SMILES for 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine is C=CCC(N)c1ccccc1-c1noc2ccncc12.
What is the InChIKey of 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine?
The InChIKey is XUSFQERTJLWRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-5-14(17)11-6-3-4-7-12(11)16-13-10-18-9-8-15(13)20-19-16/h2-4,6-10,14H,1,5,17H2.
What are the key properties of 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine?
1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-([1,2]oxazolo[4,5-c]pyridin-3-yl)phenyl]but-3-en-1-amine is sourced from PubChem (CID 18357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).