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

C12H9N3O — CID 611086

IUPAC3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2
InChIKeyHKWQPWPKROMXCJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.47
Rot. Bonds1

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

3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 611086) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID611086
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESNc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2
InChIKeyHKWQPWPKROMXCJ-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 486277
1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
3-[4-(Benzyloxy)phenyl]-1-{pyrido[2,3-d][1,3]oxazol-2-yl}propan-1-one
CID 16736010
1-[6-(4-Methylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]-6-phenylhexan-1-one
CID 122390213
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
CID 694846
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone
CID 9972176
1-Oxazolo(4,5-b)pyridin-2-yl-octadec-9-yn-1-one
CID 9977214
1-[1,3]Oxazolo[4,5-b]pyridin-2-yloctan-1-one
CID 22486174
1-[1,3]Oxazolo[4,5-b]pyridin-2-yldecan-1-one
CID 22486175
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 611086) is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is HKWQPWPKROMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2.
What are the key properties of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 211.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 611086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).