3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

C14H13N3O — CID 143409028

IUPAC3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCCc1ccc2oc(-c3cccc(N)c3)nc2n1
InChIInChI=1S/C14H13N3O/c1-2-11-6-7-12-13(16-11)17-14(18-12)9-4-3-5-10(15)8-9/h3-8H,2,15H2,1H3
InChIKeyILJILBAKSLJKQA-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.03
Rot. Bonds2

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

3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 143409028) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID143409028
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCCc1ccc2oc(-c3cccc(N)c3)nc2n1
InChIInChI=1S/C14H13N3O/c1-2-11-6-7-12-13(16-11)17-14(18-12)9-4-3-5-10(15)8-9/h3-8H,2,15H2,1H3
InChIKeyILJILBAKSLJKQA-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 143409028) is 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is CCc1ccc2oc(-c3cccc(N)c3)nc2n1.
What is the InChIKey of 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is ILJILBAKSLJKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-11-6-7-12-13(16-11)17-14(18-12)9-4-3-5-10(15)8-9/h3-8H,2,15H2,1H3.
What are the key properties of 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 239.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 143409028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).