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

C13H11N3O — CID 774969

IUPAC2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc(-c2nc3ncccc3o2)cc1N
InChIInChI=1S/C13H11N3O/c1-8-4-5-9(7-10(8)14)13-16-12-11(17-13)3-2-6-15-12/h2-7H,14H2,1H3
InChIKeyWGTVXCWMSWDXMG-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.78
Rot. Bonds1

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

2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (PubChem CID 774969) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
PubChem CID774969
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
SMILESCc1ccc(-c2nc3ncccc3o2)cc1N
InChIInChI=1S/C13H11N3O/c1-8-4-5-9(7-10(8)14)13-16-12-11(17-13)3-2-6-15-12/h2-7H,14H2,1H3
InChIKeyWGTVXCWMSWDXMG-UHFFFAOYSA-N
XLogP2.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.78
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
3-(Oxazolo[4,5-b]pyridin-2-yl)aniline
CID 611086
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The IUPAC name of 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline (CID 774969) is 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline.
What is the SMILES notation for 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The canonical SMILES for 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is Cc1ccc(-c2nc3ncccc3o2)cc1N.
What is the InChIKey of 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
The InChIKey is WGTVXCWMSWDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-4-5-9(7-10(8)14)13-16-12-11(17-13)3-2-6-15-12/h2-7H,14H2,1H3.
What are the key properties of 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline?
2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline has a molecular weight of 225.25 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline is sourced from PubChem (CID 774969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).