N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride

C13H10ClF2N3O2 — CID 56587818

IUPACN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
SMILESCl.FC(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C13H9F2N3O2.ClH/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;/h1-7,13H,(H,17,18);1H
InChIKeyQFLNWKOWYSWYIA-UHFFFAOYSA-N
MW313.69 g/mol
LogP3.99
Rot. Bonds4

About N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride

N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride (PubChem CID 56587818) has the molecular formula C13H10ClF2N3O2 and a molecular weight of 313.69 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
PubChem CID56587818
Molecular FormulaC13H10ClF2N3O2
Molecular Weight313.69 g/mol
Exact Mass313.04
IUPAC NameN-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
SMILESCl.FC(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C13H9F2N3O2.ClH/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;/h1-7,13H,(H,17,18);1H
InChIKeyQFLNWKOWYSWYIA-UHFFFAOYSA-N
XLogP3.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride (CID 56587818) is N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride is Cl.FC(F)Oc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
The InChIKey is QFLNWKOWYSWYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O2.ClH/c14-13(15)19-9-4-1-3-8(7-9)17-12-11-10(20-18-12)5-2-6-16-11;/h1-7,13H,(H,17,18);1H.
What are the key properties of N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride?
N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride has a molecular weight of 313.69 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride is sourced from PubChem (CID 56587818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).