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

C13H8F3N3O — CID 53375004

IUPACN-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-3-1-4-9(7-8)18-12-11-10(20-19-12)5-2-6-17-11/h1-7H,(H,18,19)
InChIKeyGLWXAYNUPXUEJW-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.99
Rot. Bonds2

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

N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375004) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375004
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC NameN-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1cccc(Nc2noc3cccnc23)c1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-3-1-4-9(7-8)18-12-11-10(20-19-12)5-2-6-17-11/h1-7H,(H,18,19)
InChIKeyGLWXAYNUPXUEJW-UHFFFAOYSA-N
XLogP3.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375206
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
N-[3-(trifluoromethyl)phenyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 110435108
3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132
3-[3-(trifluoromethyl)anilino]pyrazine-2-carbonitrile
CID 62685374
7-iodo-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 146484443
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
2-methyl-N-[3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine;hydrochloride
CID 44660926
N-(4-chlorophenyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 1263788
6-methyl-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 141366646
N-(pyrimidin-2-ylmethyl)-3-(trifluoromethyl)aniline
CID 62698775

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375004) is N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is FC(F)(F)c1cccc(Nc2noc3cccnc23)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is GLWXAYNUPXUEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-3-1-4-9(7-8)18-12-11-10(20-19-12)5-2-6-17-11/h1-7H,(H,18,19).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 279.22 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).