4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline

C13H10FN3O — CID 44545776

IUPAC4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(F)nc3o2)cc1
InChIInChI=1S/C13H10FN3O/c1-15-9-4-2-8(3-5-9)12-16-10-6-7-11(14)17-13(10)18-12/h2-7,15H,1H3
InChIKeyKJNJGCMAUSYHPD-UHFFFAOYSA-N
MW243.24 g/mol
LogP3.07
Rot. Bonds2

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

4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline (PubChem CID 44545776) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline
PubChem CID44545776
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(F)nc3o2)cc1
InChIInChI=1S/C13H10FN3O/c1-15-9-4-2-8(3-5-9)12-16-10-6-7-11(14)17-13(10)18-12/h2-7,15H,1H3
InChIKeyKJNJGCMAUSYHPD-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline?
The IUPAC name of 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline (CID 44545776) is 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline?
The canonical SMILES for 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline is CNc1ccc(-c2nc3ccc(F)nc3o2)cc1.
What is the InChIKey of 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline?
The InChIKey is KJNJGCMAUSYHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-15-9-4-2-8(3-5-9)12-16-10-6-7-11(14)17-13(10)18-12/h2-7,15H,1H3.
What are the key properties of 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline?
4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline has a molecular weight of 243.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylaniline is sourced from PubChem (CID 44545776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).