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

C14H11F2N3O2 — CID 89459633

IUPACN-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H11F2N3O2/c1-14(15,16)20-10-5-2-4-9(8-10)18-13-12-11(21-19-13)6-3-7-17-12/h2-8H,1H3,(H,18,19)
InChIKeyDDWKGDSNOVMEHA-UHFFFAOYSA-N
MW291.26 g/mol
LogP3.96
Rot. Bonds4

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

N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 89459633) has the molecular formula C14H11F2N3O2 and a molecular weight of 291.26 g/mol. Its IUPAC name is N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID89459633
Molecular FormulaC14H11F2N3O2
Molecular Weight291.26 g/mol
Exact Mass291.08
IUPAC NameN-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESCC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C14H11F2N3O2/c1-14(15,16)20-10-5-2-4-9(8-10)18-13-12-11(21-19-13)6-3-7-17-12/h2-8H,1H3,(H,18,19)
InChIKeyDDWKGDSNOVMEHA-UHFFFAOYSA-N
XLogP3.96
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(trifluoromethyl)phenyl)isoxazolo[4,5-b]pyridin-3-amine
CID 45484854
N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 56587817
N-(3-fluorophenyl)isoxazolo[4,5-b]pyridin-3-amine
CID 56587823
N-(4-chloro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;2,2,2-trifluoroacetic acid
CID 56587819
N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;hydrochloride
CID 56587818
N-(4-fluoro-3-methoxyphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53373684
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53373685
N-[3-(1,1,2,2,2-pentafluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53373686
N-[3-(difluoromethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375000
N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375004
N-(3-fluorophenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375008
N-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375107

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 89459633) is N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is CC(F)(F)Oc1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is DDWKGDSNOVMEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O2/c1-14(15,16)20-10-5-2-4-9(8-10)18-13-12-11(21-19-13)6-3-7-17-12/h2-8H,1H3,(H,18,19).
What are the key properties of N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 291.26 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-difluoroethoxy)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 89459633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).