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

C13H8F3N3O — CID 45484854

IUPACN-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cccnc23)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-3-5-9(6-4-8)18-12-11-10(20-19-12)2-1-7-17-11/h1-7H,(H,18,19)
InChIKeyMSHRJYXRXOSYLS-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.99
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 45484854) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID45484854
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC NameN-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3cccnc23)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-3-5-9(6-4-8)18-12-11-10(20-19-12)2-1-7-17-11/h1-7H,(H,18,19)
InChIKeyMSHRJYXRXOSYLS-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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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 45484854) is N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is FC(F)(F)c1ccc(Nc2noc3cccnc23)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is MSHRJYXRXOSYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-3-5-9(6-4-8)18-12-11-10(20-19-12)2-1-7-17-11/h1-7H,(H,18,19).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-[4-(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-[4-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 45484854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).