N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

C12H7ClFN3O — CID 53375001

IUPACN-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1ccc(Nc2noc3cccnc23)cc1Cl
InChIInChI=1S/C12H7ClFN3O/c13-8-6-7(3-4-9(8)14)16-12-11-10(18-17-12)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyDCHBZWRGFGLLCR-UHFFFAOYSA-N
MW263.66 g/mol
LogP3.76
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine

N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375001) has the molecular formula C12H7ClFN3O and a molecular weight of 263.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375001
Molecular FormulaC12H7ClFN3O
Molecular Weight263.66 g/mol
Exact Mass263.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFc1ccc(Nc2noc3cccnc23)cc1Cl
InChIInChI=1S/C12H7ClFN3O/c13-8-6-7(3-4-9(8)14)16-12-11-10(18-17-12)2-1-5-15-11/h1-6H,(H,16,17)
InChIKeyDCHBZWRGFGLLCR-UHFFFAOYSA-N
XLogP3.76
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375001) is N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is Fc1ccc(Nc2noc3cccnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is DCHBZWRGFGLLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O/c13-8-6-7(3-4-9(8)14)16-12-11-10(18-17-12)2-1-5-15-11/h1-6H,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 263.66 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).